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

C115H72N12 — CID 167055292

IUPAC2-[2-[3-[5-[3-[9-[2,6-bis(2-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
SMILESCc1cc(-c2ccc(C)c(-c3ccc4c(c3)c3cc(-c5ccccc5C)ccc3n4-c3c(-c4ccccc4C#N)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3ccccc3C#N)c2)cc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3C#N)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2C#N)c1
InChIInChI=1S/C115H72N12/c1-71-56-86(58-87(57-71)79-50-53-105-97(60-79)95-46-26-27-47-104(95)126(105)108-100(91-42-22-17-37-82(91)67-116)63-88(64-101(108)92-43-23-18-38-83(92)68-117)114-122-110(74-29-8-4-9-30-74)120-111(123-114)75-31-10-5-11-32-75)78-49-48-73(3)96(59-78)81-52-55-107-99(62-81)98-61-80(90-41-21-16-28-72(90)2)51-54-106(98)127(107)109-102(93-44-24-19-39-84(93)69-118)65-89(66-103(109)94-45-25-20-40-85(94)70-119)115-124-112(76-33-12-6-13-34-76)121-113(125-115)77-35-14-7-15-36-77/h4-66H,1-3H3
InChIKeyJYUUKILFBQDOFV-UHFFFAOYSA-N
MW1621.92 g/mol
LogP28.00
Rot. Bonds16

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

2-[2-[3-[5-[3-[9-[2,6-bis(2-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile (PubChem CID 167055292) has the molecular formula C115H72N12 and a molecular weight of 1621.92 g/mol. Its IUPAC name is 2-[2-[3-[5-[3-[9-[2,6-bis(2-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-[2-[3-[5-[3-[9-[2,6-bis(2-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
PubChem CID167055292
Molecular FormulaC115H72N12
Molecular Weight1621.92 g/mol
Exact Mass1620.60
IUPAC Name2-[2-[3-[5-[3-[9-[2,6-bis(2-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
SMILESCc1cc(-c2ccc(C)c(-c3ccc4c(c3)c3cc(-c5ccccc5C)ccc3n4-c3c(-c4ccccc4C#N)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3ccccc3C#N)c2)cc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3C#N)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2C#N)c1
InChIInChI=1S/C115H72N12/c1-71-56-86(58-87(57-71)79-50-53-105-97(60-79)95-46-26-27-47-104(95)126(105)108-100(91-42-22-17-37-82(91)67-116)63-88(64-101(108)92-43-23-18-38-83(92)68-117)114-122-110(74-29-8-4-9-30-74)120-111(123-114)75-31-10-5-11-32-75)78-49-48-73(3)96(59-78)81-52-55-107-99(62-81)98-61-80(90-41-21-16-28-72(90)2)51-54-106(98)127(107)109-102(93-44-24-19-39-84(93)69-118)65-89(66-103(109)94-45-25-20-40-85(94)70-119)115-124-112(76-33-12-6-13-34-76)121-113(125-115)77-35-14-7-15-36-77/h4-66H,1-3H3
InChIKeyJYUUKILFBQDOFV-UHFFFAOYSA-N
XLogP28.00
TPSA182.36 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001621.92
LogP ≤ 528.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[2-[3-[5-[3-[9-[2,6-bis(2-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]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-(2-cyanophenyl)-2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155447179
2-[2-[3-[9-[9-[2,6-bis(2-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-2-yl]-6-carbazol-9-ylcarbazol-9-yl]-3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 167055280
2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-(2-cyanophenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]benzonitrile
CID 155447170
2-[9-[2,6-bis(3-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
CID 155447205
2-[3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile
CID 155656790
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-bis[3-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 138729658
3-[3-(3-cyanophenyl)-2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile
CID 155447550
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole
CID 153252844
2-[3-(2-cyanophenyl)-5-(2,6-diphenylpyrimidin-4-yl)-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]benzonitrile
CID 153260817
4-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(2-methylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 139496044
2-[3-(2-cyanophenyl)-5-(4,6-diphenylpyrimidin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile
CID 161043116
9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole
CID 159147902

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[5-[3-[9-[2,6-bis(2-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile?
The IUPAC name of 2-[2-[3-[5-[3-[9-[2,6-bis(2-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile (CID 167055292) is 2-[2-[3-[5-[3-[9-[2,6-bis(2-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile.
What is the SMILES notation for 2-[2-[3-[5-[3-[9-[2,6-bis(2-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile?
The canonical SMILES for 2-[2-[3-[5-[3-[9-[2,6-bis(2-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile is Cc1cc(-c2ccc(C)c(-c3ccc4c(c3)c3cc(-c5ccccc5C)ccc3n4-c3c(-c4ccccc4C#N)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3ccccc3C#N)c2)cc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3C#N)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2C#N)c1.
What is the InChIKey of 2-[2-[3-[5-[3-[9-[2,6-bis(2-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile?
The InChIKey is JYUUKILFBQDOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C115H72N12/c1-71-56-86(58-87(57-71)79-50-53-105-97(60-79)95-46-26-27-47-104(95)126(105)108-100(91-42-22-17-37-82(91)67-116)63-88(64-101(108)92-43-23-18-38-83(92)68-117)114-122-110(74-29-8-4-9-30-74)120-111(123-114)75-31-10-5-11-32-75)78-49-48-73(3)96(59-78)81-52-55-107-99(62-81)98-61-80(90-41-21-16-28-72(90)2)51-54-106(98)127(107)109-102(93-44-24-19-39-84(93)69-118)65-89(66-103(109)94-45-25-20-40-85(94)70-119)115-124-112(76-33-12-6-13-34-76)121-113(125-115)77-35-14-7-15-36-77/h4-66H,1-3H3.
What are the key properties of 2-[2-[3-[5-[3-[9-[2,6-bis(2-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile?
2-[2-[3-[5-[3-[9-[2,6-bis(2-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile has a molecular weight of 1621.92 g/mol, XLogP of 28.00, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[5-[3-[9-[2,6-bis(2-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile is sourced from PubChem (CID 167055292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).