5-[2-[9-[5-cyano-4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-2-(3-cyanophenyl)-4-(3-phenylcarbazol-9-yl)benzonitrile

C100H58N8 — CID 146237934

IUPAC5-[2-[9-[5-cyano-4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-2-(3-cyanophenyl)-4-(3-phenylcarbazol-9-yl)benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c(-n3c4ccccc4c4cc(-c5ccccc5)c(-c5cc6c7ccccc7n(-c7cc(C#N)c(-c8cccc(C#N)c8)cc7-n7c8ccccc8c8ccc(-c9ccccc9)cc87)c6cc5-c5ccccc5)cc43)cc2C#N)c1
InChIInChI=1S/C100H58N8/c101-59-63-23-21-33-71(47-63)80-55-99(105-90-40-18-14-36-76(90)86-49-69(44-46-93(86)105)65-25-5-1-6-26-65)97(51-73(80)61-103)108-91-41-19-15-37-77(91)87-53-82(67-29-9-3-10-30-67)85(58-96(87)108)84-54-88-78-38-16-20-42-92(78)107(95(88)57-83(84)68-31-11-4-12-32-68)98-52-74(62-104)81(72-34-22-24-64(48-72)60-102)56-100(98)106-89-39-17-13-35-75(89)79-45-43-70(50-94(79)106)66-27-7-2-8-28-66/h1-58H
InChIKeyQYBXLHFCEMYPPG-UHFFFAOYSA-N
MW1371.62 g/mol
LogP25.23
Rot. Bonds11

About 5-[2-[9-[5-cyano-4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-2-(3-cyanophenyl)-4-(3-phenylcarbazol-9-yl)benzonitrile

5-[2-[9-[5-cyano-4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-2-(3-cyanophenyl)-4-(3-phenylcarbazol-9-yl)benzonitrile (PubChem CID 146237934) has the molecular formula C100H58N8 and a molecular weight of 1371.62 g/mol. Its IUPAC name is 5-[2-[9-[5-cyano-4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-2-(3-cyanophenyl)-4-(3-phenylcarbazol-9-yl)benzonitrile.

Molecular Properties

Compound Name5-[2-[9-[5-cyano-4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-2-(3-cyanophenyl)-4-(3-phenylcarbazol-9-yl)benzonitrile
PubChem CID146237934
Molecular FormulaC100H58N8
Molecular Weight1371.62 g/mol
Exact Mass1370.48
IUPAC Name5-[2-[9-[5-cyano-4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-2-(3-cyanophenyl)-4-(3-phenylcarbazol-9-yl)benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c(-n3c4ccccc4c4cc(-c5ccccc5)c(-c5cc6c7ccccc7n(-c7cc(C#N)c(-c8cccc(C#N)c8)cc7-n7c8ccccc8c8ccc(-c9ccccc9)cc87)c6cc5-c5ccccc5)cc43)cc2C#N)c1
InChIInChI=1S/C100H58N8/c101-59-63-23-21-33-71(47-63)80-55-99(105-90-40-18-14-36-76(90)86-49-69(44-46-93(86)105)65-25-5-1-6-26-65)97(51-73(80)61-103)108-91-41-19-15-37-77(91)87-53-82(67-29-9-3-10-30-67)85(58-96(87)108)84-54-88-78-38-16-20-42-92(78)107(95(88)57-83(84)68-31-11-4-12-32-68)98-52-74(62-104)81(72-34-22-24-64(48-72)60-102)56-100(98)106-89-39-17-13-35-75(89)79-45-43-70(50-94(79)106)66-27-7-2-8-28-66/h1-58H
InChIKeyQYBXLHFCEMYPPG-UHFFFAOYSA-N
XLogP25.23
TPSA114.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001371.62
LogP ≤ 525.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[2-[9-[5-cyano-4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-2-(3-cyanophenyl)-4-(3-phenylcarbazol-9-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-cyanophenyl)-4,5-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 155377559
3-[4-[2-[9-[4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]benzonitrile
CID 146892582
4,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile
CID 155377784
2-(3-cyanophenyl)-4,5-bis[3-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 155377782
4,5-bis(2-tert-butylcarbazol-9-yl)-2-(3-cyanophenyl)benzonitrile
CID 146238034
5-carbazol-9-yl-2-(3-cyanophenyl)-4-(2,7-ditert-butylcarbazol-9-yl)benzonitrile
CID 155646850
2,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile;3-[2,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-isocyanophenyl]benzonitrile;4-(3-cyanophenyl)-2,5-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile;3-[4-isocyano-5-[3-(4-methylphenyl)carbazol-9-yl]-2-(3-phenylcarbazol-9-yl)phenyl]benzonitrile
CID 160953925
2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4,5-bis(2-phenylcarbazol-9-yl)benzonitrile
CID 138729657
4,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile
CID 155377806
4-(3-cyanophenyl)-2,5-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile
CID 155377735
4,5-bis[2-(4-cyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216774
9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 155377727

Frequently Asked Questions

What is the IUPAC name of 5-[2-[9-[5-cyano-4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-2-(3-cyanophenyl)-4-(3-phenylcarbazol-9-yl)benzonitrile?
The IUPAC name of 5-[2-[9-[5-cyano-4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-2-(3-cyanophenyl)-4-(3-phenylcarbazol-9-yl)benzonitrile (CID 146237934) is 5-[2-[9-[5-cyano-4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-2-(3-cyanophenyl)-4-(3-phenylcarbazol-9-yl)benzonitrile.
What is the SMILES notation for 5-[2-[9-[5-cyano-4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-2-(3-cyanophenyl)-4-(3-phenylcarbazol-9-yl)benzonitrile?
The canonical SMILES for 5-[2-[9-[5-cyano-4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-2-(3-cyanophenyl)-4-(3-phenylcarbazol-9-yl)benzonitrile is N#Cc1cccc(-c2cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c(-n3c4ccccc4c4cc(-c5ccccc5)c(-c5cc6c7ccccc7n(-c7cc(C#N)c(-c8cccc(C#N)c8)cc7-n7c8ccccc8c8ccc(-c9ccccc9)cc87)c6cc5-c5ccccc5)cc43)cc2C#N)c1.
What is the InChIKey of 5-[2-[9-[5-cyano-4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-2-(3-cyanophenyl)-4-(3-phenylcarbazol-9-yl)benzonitrile?
The InChIKey is QYBXLHFCEMYPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H58N8/c101-59-63-23-21-33-71(47-63)80-55-99(105-90-40-18-14-36-76(90)86-49-69(44-46-93(86)105)65-25-5-1-6-26-65)97(51-73(80)61-103)108-91-41-19-15-37-77(91)87-53-82(67-29-9-3-10-30-67)85(58-96(87)108)84-54-88-78-38-16-20-42-92(78)107(95(88)57-83(84)68-31-11-4-12-32-68)98-52-74(62-104)81(72-34-22-24-64(48-72)60-102)56-100(98)106-89-39-17-13-35-75(89)79-45-43-70(50-94(79)106)66-27-7-2-8-28-66/h1-58H.
What are the key properties of 5-[2-[9-[5-cyano-4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-2-(3-cyanophenyl)-4-(3-phenylcarbazol-9-yl)benzonitrile?
5-[2-[9-[5-cyano-4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-2-(3-cyanophenyl)-4-(3-phenylcarbazol-9-yl)benzonitrile has a molecular weight of 1371.62 g/mol, XLogP of 25.23, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[9-[5-cyano-4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-2-(3-cyanophenyl)-4-(3-phenylcarbazol-9-yl)benzonitrile is sourced from PubChem (CID 146237934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).