3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile

C38H29N5 — CID 134508047

IUPAC3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
SMILESCc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5)cc4n(-c4cc(C#N)ccc4-c4nc(C)nc(C)n4)c3c2)cc1
InChIInChI=1S/C38H29N5/c1-23-5-10-28(11-6-23)30-14-17-32-33-18-15-31(29-12-7-24(2)8-13-29)21-37(33)43(36(32)20-30)35-19-27(22-39)9-16-34(35)38-41-25(3)40-26(4)42-38/h5-21H,1-4H3
InChIKeyWJOWOALQIKQIPI-UHFFFAOYSA-N
MW555.69 g/mol
LogP9.08
Rot. Bonds4

About 3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile

3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile (PubChem CID 134508047) has the molecular formula C38H29N5 and a molecular weight of 555.69 g/mol. Its IUPAC name is 3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile.

Molecular Properties

Compound Name3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
PubChem CID134508047
Molecular FormulaC38H29N5
Molecular Weight555.69 g/mol
Exact Mass555.24
IUPAC Name3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
SMILESCc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5)cc4n(-c4cc(C#N)ccc4-c4nc(C)nc(C)n4)c3c2)cc1
InChIInChI=1S/C38H29N5/c1-23-5-10-28(11-6-23)30-14-17-32-33-18-15-31(29-12-7-24(2)8-13-29)21-37(33)43(36(32)20-30)35-19-27(22-39)9-16-34(35)38-41-25(3)40-26(4)42-38/h5-21H,1-4H3
InChIKeyWJOWOALQIKQIPI-UHFFFAOYSA-N
XLogP9.08
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.69
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile
CID 155014684
3-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134508053
3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476167
3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476151
2,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 138729193
4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134508087
3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)benzonitrile
CID 134508080
3-[2-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476168
5-[9-[5-cyano-2-(4,6-dimethylpyrimidin-2-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155014756
3-[2-(3-cyanophenyl)-7-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 161096795
4-[9-[5-cyano-3-[2-(2,4-dicyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134321342
3-(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 155014674

Frequently Asked Questions

What is the IUPAC name of 3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile?
The IUPAC name of 3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile (CID 134508047) is 3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile.
What is the SMILES notation for 3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile?
The canonical SMILES for 3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile is Cc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5)cc4n(-c4cc(C#N)ccc4-c4nc(C)nc(C)n4)c3c2)cc1.
What is the InChIKey of 3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile?
The InChIKey is WJOWOALQIKQIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H29N5/c1-23-5-10-28(11-6-23)30-14-17-32-33-18-15-31(29-12-7-24(2)8-13-29)21-37(33)43(36(32)20-30)35-19-27(22-39)9-16-34(35)38-41-25(3)40-26(4)42-38/h5-21H,1-4H3.
What are the key properties of 3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile?
3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile has a molecular weight of 555.69 g/mol, XLogP of 9.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile is sourced from PubChem (CID 134508047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).