4-[2-[5-cyano-2-(3,6-diphenylcarbazol-9-yl)phenyl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylbenzonitrile

C69H44N4 — CID 158689118

IUPAC4-[2-[5-cyano-2-(3,6-diphenylcarbazol-9-yl)phenyl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1-c1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1-c1cc(C#N)ccc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C69H44N4/c1-45-36-46(43-70)22-29-57(45)58-30-28-56(72-65-32-24-52(48-14-6-2-7-15-48)38-61(65)62-39-53(25-33-66(62)72)49-16-8-3-9-17-49)42-59(58)60-37-47(44-71)23-31-67(60)73-68-34-26-54(50-18-10-4-11-19-50)40-63(68)64-41-55(27-35-69(64)73)51-20-12-5-13-21-51/h2-42H,1H3
InChIKeyZBFFUOVCSBSRKW-UHFFFAOYSA-N
MW929.14 g/mol
LogP17.93
Rot. Bonds8

About 4-[2-[5-cyano-2-(3,6-diphenylcarbazol-9-yl)phenyl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylbenzonitrile

4-[2-[5-cyano-2-(3,6-diphenylcarbazol-9-yl)phenyl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylbenzonitrile (PubChem CID 158689118) has the molecular formula C69H44N4 and a molecular weight of 929.14 g/mol. Its IUPAC name is 4-[2-[5-cyano-2-(3,6-diphenylcarbazol-9-yl)phenyl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylbenzonitrile.

Molecular Properties

Compound Name4-[2-[5-cyano-2-(3,6-diphenylcarbazol-9-yl)phenyl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylbenzonitrile
PubChem CID158689118
Molecular FormulaC69H44N4
Molecular Weight929.14 g/mol
Exact Mass928.36
IUPAC Name4-[2-[5-cyano-2-(3,6-diphenylcarbazol-9-yl)phenyl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1-c1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1-c1cc(C#N)ccc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C69H44N4/c1-45-36-46(43-70)22-29-57(45)58-30-28-56(72-65-32-24-52(48-14-6-2-7-15-48)38-61(65)62-39-53(25-33-66(62)72)49-16-8-3-9-17-49)42-59(58)60-37-47(44-71)23-31-67(60)73-68-34-26-54(50-18-10-4-11-19-50)40-63(68)64-41-55(27-35-69(64)73)51-20-12-5-13-21-51/h2-42H,1H3
InChIKeyZBFFUOVCSBSRKW-UHFFFAOYSA-N
XLogP17.93
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.14
LogP ≤ 517.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-[5-cyano-2-(3,6-diphenylcarbazol-9-yl)phenyl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylbenzonitrile 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

4-[2-[5-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile
CID 158391932
4-[2-[5-cyano-2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-3-methylbenzonitrile
CID 158689119
4-[3-[4-cyano-2-(3-phenylcarbazol-9-yl)phenyl]-4-(3-phenylcarbazol-9-yl)phenyl]-3-methylbenzonitrile
CID 162088321
9-[3-[5-(4-cyanophenyl)-2-(3,6-dicyanocarbazol-9-yl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 139496068
9-[3-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-isocyanophenyl]-4-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(3-methylphenyl)carbazole;9-[3-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-isocyanophenyl]-4-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole;4-[2-[5-cyano-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile
CID 160637245
4-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]-3-methylbenzonitrile
CID 162088323
4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 154603027
4-[2-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile
CID 164744010
4-(3,6-diphenylcarbazol-9-yl)-3-[2-(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003386
3-[2-[3,5-bis(trifluoromethyl)phenyl]-5-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 138500010
4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 118632433
3-[2-[2,4-bis(trifluoromethyl)phenyl]-5-[3-(4-cyanophenyl)carbazol-9-yl]phenyl]-4-[3-(4-cyanophenyl)carbazol-9-yl]benzonitrile
CID 138499290

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-cyano-2-(3,6-diphenylcarbazol-9-yl)phenyl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylbenzonitrile?
The IUPAC name of 4-[2-[5-cyano-2-(3,6-diphenylcarbazol-9-yl)phenyl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylbenzonitrile (CID 158689118) is 4-[2-[5-cyano-2-(3,6-diphenylcarbazol-9-yl)phenyl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylbenzonitrile.
What is the SMILES notation for 4-[2-[5-cyano-2-(3,6-diphenylcarbazol-9-yl)phenyl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylbenzonitrile?
The canonical SMILES for 4-[2-[5-cyano-2-(3,6-diphenylcarbazol-9-yl)phenyl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylbenzonitrile is Cc1cc(C#N)ccc1-c1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1-c1cc(C#N)ccc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.
What is the InChIKey of 4-[2-[5-cyano-2-(3,6-diphenylcarbazol-9-yl)phenyl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylbenzonitrile?
The InChIKey is ZBFFUOVCSBSRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H44N4/c1-45-36-46(43-70)22-29-57(45)58-30-28-56(72-65-32-24-52(48-14-6-2-7-15-48)38-61(65)62-39-53(25-33-66(62)72)49-16-8-3-9-17-49)42-59(58)60-37-47(44-71)23-31-67(60)73-68-34-26-54(50-18-10-4-11-19-50)40-63(68)64-41-55(27-35-69(64)73)51-20-12-5-13-21-51/h2-42H,1H3.
What are the key properties of 4-[2-[5-cyano-2-(3,6-diphenylcarbazol-9-yl)phenyl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylbenzonitrile?
4-[2-[5-cyano-2-(3,6-diphenylcarbazol-9-yl)phenyl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylbenzonitrile has a molecular weight of 929.14 g/mol, XLogP of 17.93, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-cyano-2-(3,6-diphenylcarbazol-9-yl)phenyl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylbenzonitrile is sourced from PubChem (CID 158689118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).