4-[3-(2-cyanophenyl)carbazol-9-yl]-3-[5-[3-(2-cyanophenyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile

C66H38N8 — CID 155003298

IUPAC4-[3-(2-cyanophenyl)carbazol-9-yl]-3-[5-[3-(2-cyanophenyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c(-c2cc(-n3c4ccccc4c4cc(-c5ccccc5C#N)ccc43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C66H38N8/c67-39-42-27-32-62(74-60-26-14-12-24-53(60)58-37-46(29-34-63(58)74)51-22-10-8-20-48(51)41-69)56(35-42)55-38-49(30-31-54(55)66-71-64(43-15-3-1-4-16-43)70-65(72-66)44-17-5-2-6-18-44)73-59-25-13-11-23-52(59)57-36-45(28-33-61(57)73)50-21-9-7-19-47(50)40-68/h1-38H
InChIKeyZVWXNEHBRGYRPT-UHFFFAOYSA-N
MW943.09 g/mol
LogP15.68
Rot. Bonds8

About 4-[3-(2-cyanophenyl)carbazol-9-yl]-3-[5-[3-(2-cyanophenyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile

4-[3-(2-cyanophenyl)carbazol-9-yl]-3-[5-[3-(2-cyanophenyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile (PubChem CID 155003298) has the molecular formula C66H38N8 and a molecular weight of 943.09 g/mol. Its IUPAC name is 4-[3-(2-cyanophenyl)carbazol-9-yl]-3-[5-[3-(2-cyanophenyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name4-[3-(2-cyanophenyl)carbazol-9-yl]-3-[5-[3-(2-cyanophenyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
PubChem CID155003298
Molecular FormulaC66H38N8
Molecular Weight943.09 g/mol
Exact Mass942.32
IUPAC Name4-[3-(2-cyanophenyl)carbazol-9-yl]-3-[5-[3-(2-cyanophenyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c(-c2cc(-n3c4ccccc4c4cc(-c5ccccc5C#N)ccc43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C66H38N8/c67-39-42-27-32-62(74-60-26-14-12-24-53(60)58-37-46(29-34-63(58)74)51-22-10-8-20-48(51)41-69)56(35-42)55-38-49(30-31-54(55)66-71-64(43-15-3-1-4-16-43)70-65(72-66)44-17-5-2-6-18-44)73-59-25-13-11-23-52(59)57-36-45(28-33-61(57)73)50-21-9-7-19-47(50)40-68/h1-38H
InChIKeyZVWXNEHBRGYRPT-UHFFFAOYSA-N
XLogP15.68
TPSA119.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.09
LogP ≤ 515.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[3-(2-cyanophenyl)carbazol-9-yl]-3-[5-[3-(2-cyanophenyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile with MolForge

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Related Compounds

2-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139495738
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
2-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(3-methylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 139495723
4-[9-[3-[2-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 139496142
9-[3-[2-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 139496248
3-[3-(2-cyanophenyl)carbazol-9-yl]-4-[2-[3-(2-cyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003308
2-[2-[4-[2-(2-cyanophenyl)-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-[4-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
CID 170135903
3-[4-carbazol-9-yl-6-[4-(2-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 166983956
4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155232577
4-[6-(2,4-dicyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155232983
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-[4-cyano-2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 154603054

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-cyanophenyl)carbazol-9-yl]-3-[5-[3-(2-cyanophenyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile?
The IUPAC name of 4-[3-(2-cyanophenyl)carbazol-9-yl]-3-[5-[3-(2-cyanophenyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile (CID 155003298) is 4-[3-(2-cyanophenyl)carbazol-9-yl]-3-[5-[3-(2-cyanophenyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile.
What is the SMILES notation for 4-[3-(2-cyanophenyl)carbazol-9-yl]-3-[5-[3-(2-cyanophenyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile?
The canonical SMILES for 4-[3-(2-cyanophenyl)carbazol-9-yl]-3-[5-[3-(2-cyanophenyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile is N#Cc1ccc(-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c(-c2cc(-n3c4ccccc4c4cc(-c5ccccc5C#N)ccc43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 4-[3-(2-cyanophenyl)carbazol-9-yl]-3-[5-[3-(2-cyanophenyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile?
The InChIKey is ZVWXNEHBRGYRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H38N8/c67-39-42-27-32-62(74-60-26-14-12-24-53(60)58-37-46(29-34-63(58)74)51-22-10-8-20-48(51)41-69)56(35-42)55-38-49(30-31-54(55)66-71-64(43-15-3-1-4-16-43)70-65(72-66)44-17-5-2-6-18-44)73-59-25-13-11-23-52(59)57-36-45(28-33-61(57)73)50-21-9-7-19-47(50)40-68/h1-38H.
What are the key properties of 4-[3-(2-cyanophenyl)carbazol-9-yl]-3-[5-[3-(2-cyanophenyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile?
4-[3-(2-cyanophenyl)carbazol-9-yl]-3-[5-[3-(2-cyanophenyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile has a molecular weight of 943.09 g/mol, XLogP of 15.68, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-cyanophenyl)carbazol-9-yl]-3-[5-[3-(2-cyanophenyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile is sourced from PubChem (CID 155003298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).