chempirical

4,4,4,4-(1,3,6,8-Pyrenetetrayl)tetrakis[benzenamine]

C40H30N4CAS 1610471-69-6566.71 g/mol

Open in Covalent MOL file
NH2H2NH2NNH2
Primary amine

Properties

Molecular formula
C40H30N4
Molar mass
566.71 g/mol
Exact mass
566.2470 Da
logP
9.58Crippen estimate
Polar surface area
104.1 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1610471-69-6
SMILES
C1=CC(=CC=C1C2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)C6=CC=C(C=C6)N)C7=CC=C(C=C7)N)C8=CC=C(C=C8)N)N
InChIKey
XDTZQQXBFDIDSL-UHFFFAOYSA-N
InChI
InChI=1S/C40H30N4/c41-27-9-1-23(2-10-27)35-21-36(24-3-11-28(42)12-4-24)32-19-20-34-38(26-7-15-30(44)16-8-26)22-37(25-5-13-29(43)14-6-25)33-18-17-31(35)39(32)40(33)34/h1-22H,41-44H2

Weigh it out

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

Names and synonyms

1 names
  • 4,4',4'',4'''-(Pyrene-1,3,6,8-tetrayl)tetraaniline

Work with 4,4,4,4-(1,3,6,8-Pyrenetetrayl)tetrakis[benzenamine]

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

1,3,5-Tri(4-aminophenyl)benzene118727-34-750 % similar 4,4',4'',4'''-(Pyrene-1,3,6,8-tetrayl)tetrabenzaldehyde1415238-25-350 % similar 4,4''-Diaminoterphenyl3365-85-350 % similar Benzidine92-87-550 % similar 4-(1-Naphthalenyl)benzenamine125404-00-445 % similar [1,1′-Biphenyl]-4,4′-diamine hydrochloride (1:2)531-85-144 % similar P-Phenylenediamine106-50-343 % similar 4-Amino-P-terphenyl7293-45-042 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook