2-[7-(2-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-yl]benzonitrile

C65H39N7 — CID 155232570

IUPAC2-[7-(2-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc2c3ccc(-c4ccccc4C#N)cc3n(-c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C65H39N7/c66-40-48-20-10-12-24-51(48)46-29-33-55-56-34-30-47(52-25-13-11-21-49(52)41-67)39-62(56)72(61(55)38-46)59-35-31-44(45-28-32-54-53-26-14-15-27-58(53)71(60(54)37-45)50-22-8-3-9-23-50)36-57(59)65-69-63(42-16-4-1-5-17-42)68-64(70-65)43-18-6-2-7-19-43/h1-39H
InChIKeyIASRHPTVVPAHBE-UHFFFAOYSA-N
MW918.08 g/mol
LogP15.81
Rot. Bonds8

About 2-[7-(2-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-yl]benzonitrile

2-[7-(2-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-yl]benzonitrile (PubChem CID 155232570) has the molecular formula C65H39N7 and a molecular weight of 918.08 g/mol. Its IUPAC name is 2-[7-(2-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-yl]benzonitrile.

Molecular Properties

Compound Name2-[7-(2-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-yl]benzonitrile
PubChem CID155232570
Molecular FormulaC65H39N7
Molecular Weight918.08 g/mol
Exact Mass917.33
IUPAC Name2-[7-(2-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc2c3ccc(-c4ccccc4C#N)cc3n(-c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C65H39N7/c66-40-48-20-10-12-24-51(48)46-29-33-55-56-34-30-47(52-25-13-11-21-49(52)41-67)39-62(56)72(61(55)38-46)59-35-31-44(45-28-32-54-53-26-14-15-27-58(53)71(60(54)37-45)50-22-8-3-9-23-50)36-57(59)65-69-63(42-16-4-1-5-17-42)68-64(70-65)43-18-6-2-7-19-43/h1-39H
InChIKeyIASRHPTVVPAHBE-UHFFFAOYSA-N
XLogP15.81
TPSA96.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.08
LogP ≤ 515.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[7-(2-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-yl]benzonitrile with MolForge

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Related Compounds

2-[4-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 147847714
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 155232537
2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazol-3-yl]benzonitrile
CID 155232661
2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]-7-(2-isocyanophenyl)carbazol-2-yl]benzonitrile
CID 155628167
2-[9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 137421152
5-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155232984
2-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile
CID 139495914
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 155232535
2-[9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 155232743
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
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 155233044

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-yl]benzonitrile?
The IUPAC name of 2-[7-(2-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-yl]benzonitrile (CID 155232570) is 2-[7-(2-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-yl]benzonitrile.
What is the SMILES notation for 2-[7-(2-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-yl]benzonitrile?
The canonical SMILES for 2-[7-(2-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-yl]benzonitrile is N#Cc1ccccc1-c1ccc2c3ccc(-c4ccccc4C#N)cc3n(-c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.
What is the InChIKey of 2-[7-(2-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-yl]benzonitrile?
The InChIKey is IASRHPTVVPAHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H39N7/c66-40-48-20-10-12-24-51(48)46-29-33-55-56-34-30-47(52-25-13-11-21-49(52)41-67)39-62(56)72(61(55)38-46)59-35-31-44(45-28-32-54-53-26-14-15-27-58(53)71(60(54)37-45)50-22-8-3-9-23-50)36-57(59)65-69-63(42-16-4-1-5-17-42)68-64(70-65)43-18-6-2-7-19-43/h1-39H.
What are the key properties of 2-[7-(2-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-yl]benzonitrile?
2-[7-(2-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-yl]benzonitrile has a molecular weight of 918.08 g/mol, XLogP of 15.81, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-yl]benzonitrile is sourced from PubChem (CID 155232570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).