chempirical

2,2',7,7'-Tetrakis[N,N-di(4-methoxyphenyl)amino]-9,9'-spirobifluorene

C81H68N4O8CAS 207739-72-81225.45 g/mol

Open in Covalent MOL file
ONONOONOONOO
EtherTertiary amine

Properties

Molecular formula
C81H68N4O8
Molar mass
1225.45 g/mol
Exact mass
1224.5037 Da
logP
19.98Crippen estimate
Polar surface area
86.8 Ų
H-bond donors / acceptors
0 / 12
Rotatable bonds
20

Identifiers

CAS number
207739-72-8
SMILES
COC1=CC=C(C=C1)N(C2=CC=C(C=C2)OC)C3=CC4=C(C=C3)C5=C(C46C7=C(C=CC(=C7)N(C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC)C1=C6C=C(C=C1)N(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC)C=C(C=C5)N(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC
InChIKey
XDXWNHPWWKGTKO-UHFFFAOYSA-N
InChI
InChI=1S/C81H68N4O8/c1-86-65-29-9-53(10-30-65)82(54-11-31-66(87-2)32-12-54)61-25-45-73-74-46-26-62(83(55-13-33-67(88-3)34-14-55)56-15-35-68(89-4)36-16-56)50-78(74)81(77(73)49-61)79-51-63(84(57-17-37-69(90-5)38-18-57)58-19-39-70(91-6)40-20-58)27-47-75(79)76-48-28-64(52-80(76)81)85(59-21-41-71(92-7)42-22-59)60-23-43-72(93-8)44-24-60/h9-52H,1-8H3

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

Work with 2,2',7,7'-Tetrakis[N,N-di(4-methoxyphenyl)amino]-9,9'-spirobifluorene

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-Methoxy-N-(4-methoxyphenyl)-N-phenylaniline20440-94-255 % similar 4-Bromo-N,N-bis(4-methoxyphenyl)aniline194416-45-051 % similar [4-[Bis(4-methoxyphenyl)amino]phenyl]boronic Acid (contains varying amounts of Anhydride)201802-29-147 % similar N-([1,1'-Biphenyl]-4-yl)-N-(9,9-dimethyl-9H-fluoren-2-yl)-9,9'-spirobi[fluoren]-2-amine1364602-88-947 % similar 4-Methoxy-N,N-dimethylbenzenamine701-56-444 % similar 1,4-Dimethoxybenzene150-78-741 % similar 4-Chloroanisole623-12-138 % similar 4,4'-Dimethoxybiphenyl2132-80-138 % similar

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

Elsewhere

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