1,6,7,12-Tetra-tert-butylphenoxyperylene-3,4,9,10-tetracarboxylic dianhydride

C₆₄H₅₆O₁₀CAS 156028-30-7985.14 g/mol

Open in Covalent MOL file

Acid anhydride Ether

Properties

Molecular formula: C₆₄H₅₆O₁₀
Molar mass: 985.14 g/mol
Exact mass: 984.3873 Da
logP: 16.72Crippen estimate
Polar surface area: 123.7 Å²
H-bond donors / acceptors: 0 / 10
Rotatable bonds: 8

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

156028-30-7

SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C3C4=C(C=C5C6=C4C(=C(C=C6C(=O)OC5=O)OC7=CC=C(C=C7)C(C)(C)C)C8=C(C=C9C(=C38)C(=C2)C(=O)OC9=O)OC1=CC=C(C=C1)C(C)(C)C)OC1=CC=C(C=C1)C(C)(C)C

InChIKey

OIBUEAFZCMYHPY-UHFFFAOYSA-N

InChI

InChI=1S/C64H56O10/c1-61(2,3)33-13-21-37(22-14-33)69-45-29-41-49-42(58(66)73-57(41)65)31-47(71-39-25-17-35(18-26-39)63(7,8)9)53-54-48(72-40-27-19-36(20-28-40)64(10,11)12)32-44-50-43(59(67)74-60(44)68)30-46(52(56(50)54)51(45)55(49)53)70-38-23-15-34(16-24-38)62(4,5)6/h13-32H,1-12H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

1,6,7,12-Tetra-t-butylphenoxyperylene-3,4,9,10-tetracarboxylic dianhydride, tech.

Work with 1,6,7,12-Tetra-tert-butylphenoxyperylene-3,4,9,10-tetracarboxylic dianhydride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-tert-Butylphthalic anhydride32703-79-054 % similar 2,2-Bis(4-(3,4-dicarboxyphenoxy)phenyl)propane dianhydride38103-06-950 % similar 4,4'-(1,4-Phenylenedioxy)bisphthalic Anhydride17828-53-443 % similar Methyl 4-tert-butylbenzoate26537-19-941 % similar 3,4'-Oxydiphthalic anhydride50662-95-841 % similar 4,4'-Oxydiphthalic anhydride1823-59-240 % similar 1,6,7,12-Tetrachloroperylene tetracarboxylic acid dianhydride156028-26-140 % similar Naphthalenetetracarboxylic dianhydride81-30-139 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook