4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-N-[4-[4-(4-cyanophenyl)phenyl]phenyl]anilino]phenyl]phenyl]benzonitrile

C57H36N4 — CID 122213213

IUPAC4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-N-[4-[4-(4-cyanophenyl)phenyl]phenyl]anilino]phenyl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc(C#N)cc6)cc5)cc4)c4ccc(-c5ccc(-c6ccc(C#N)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C57H36N4/c58-37-40-1-7-43(8-2-40)46-13-19-49(20-14-46)52-25-31-55(32-26-52)61(56-33-27-53(28-34-56)50-21-15-47(16-22-50)44-9-3-41(38-59)4-10-44)57-35-29-54(30-36-57)51-23-17-48(18-24-51)45-11-5-42(39-60)6-12-45/h1-36H
InChIKeySTOQPBRWMFASQI-UHFFFAOYSA-N
MW776.94 g/mol
LogP14.77
Rot. Bonds9

About 4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-N-[4-[4-(4-cyanophenyl)phenyl]phenyl]anilino]phenyl]phenyl]benzonitrile

4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-N-[4-[4-(4-cyanophenyl)phenyl]phenyl]anilino]phenyl]phenyl]benzonitrile (PubChem CID 122213213) has the molecular formula C57H36N4 and a molecular weight of 776.94 g/mol. Its IUPAC name is 4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-N-[4-[4-(4-cyanophenyl)phenyl]phenyl]anilino]phenyl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-N-[4-[4-(4-cyanophenyl)phenyl]phenyl]anilino]phenyl]phenyl]benzonitrile
PubChem CID122213213
Molecular FormulaC57H36N4
Molecular Weight776.94 g/mol
Exact Mass776.29
IUPAC Name4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-N-[4-[4-(4-cyanophenyl)phenyl]phenyl]anilino]phenyl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc(C#N)cc6)cc5)cc4)c4ccc(-c5ccc(-c6ccc(C#N)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C57H36N4/c58-37-40-1-7-43(8-2-40)46-13-19-49(20-14-46)52-25-31-55(32-26-52)61(56-33-27-53(28-34-56)50-21-15-47(16-22-50)44-9-3-41(38-59)4-10-44)57-35-29-54(30-36-57)51-23-17-48(18-24-51)45-11-5-42(39-60)6-12-45/h1-36H
InChIKeySTOQPBRWMFASQI-UHFFFAOYSA-N
XLogP14.77
TPSA74.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.94
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-cyano-N-[4-(4-isocyanophenyl)phenyl]anilino)phenyl]benzonitrile
CID 169061616
N,N-bis[4-(4-fluorophenyl)phenyl]-4-(4-phenylphenyl)aniline;4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]benzonitrile
CID 158714904
4-(N-(4-bromophenyl)-4-phenylanilino)benzonitrile
CID 90130289
4-(N-[4-[2,6-bis(4-cyano-N-(4-cyanophenyl)anilino)-10-[4-(4-cyano-N-(4-cyanophenyl)anilino)phenyl]anthracen-9-yl]phenyl]-4-cyanoanilino)benzonitrile
CID 89132808
4-(N-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-4-cyanoanilino)benzonitrile
CID 102267120
azulene-6-carbonitrile
CID 91533837
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
4-[4-(2-chloropropan-2-yl)-N-[4-(2-chloropropan-2-yl)phenyl]anilino]benzonitrile
CID 123780810
4-[4-[4-(4-cyanophenyl)-3-methyl-N-[3-methyl-4-[4-(N-phenylanilino)phenyl]phenyl]anilino]-2-methylphenyl]benzonitrile
CID 122435879
4-[N-naphthalen-2-yl-4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino]benzonitrile
CID 90837425
4-[N-(4-cyanophenyl)-4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethynyl]anilino]benzonitrile
CID 11039418

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-N-[4-[4-(4-cyanophenyl)phenyl]phenyl]anilino]phenyl]phenyl]benzonitrile?
The IUPAC name of 4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-N-[4-[4-(4-cyanophenyl)phenyl]phenyl]anilino]phenyl]phenyl]benzonitrile (CID 122213213) is 4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-N-[4-[4-(4-cyanophenyl)phenyl]phenyl]anilino]phenyl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-N-[4-[4-(4-cyanophenyl)phenyl]phenyl]anilino]phenyl]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-N-[4-[4-(4-cyanophenyl)phenyl]phenyl]anilino]phenyl]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc(C#N)cc6)cc5)cc4)c4ccc(-c5ccc(-c6ccc(C#N)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-N-[4-[4-(4-cyanophenyl)phenyl]phenyl]anilino]phenyl]phenyl]benzonitrile?
The InChIKey is STOQPBRWMFASQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4/c58-37-40-1-7-43(8-2-40)46-13-19-49(20-14-46)52-25-31-55(32-26-52)61(56-33-27-53(28-34-56)50-21-15-47(16-22-50)44-9-3-41(38-59)4-10-44)57-35-29-54(30-36-57)51-23-17-48(18-24-51)45-11-5-42(39-60)6-12-45/h1-36H.
What are the key properties of 4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-N-[4-[4-(4-cyanophenyl)phenyl]phenyl]anilino]phenyl]phenyl]benzonitrile?
4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-N-[4-[4-(4-cyanophenyl)phenyl]phenyl]anilino]phenyl]phenyl]benzonitrile has a molecular weight of 776.94 g/mol, XLogP of 14.77, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-N-[4-[4-(4-cyanophenyl)phenyl]phenyl]anilino]phenyl]phenyl]benzonitrile is sourced from PubChem (CID 122213213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).