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

C38H29N5 — CID 134508087

IUPAC4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
SMILESCc1cccc(-c2ccc3c4ccc(-c5cccc(C)c5)cc4n(-c4ccc(C#N)cc4-c4nc(C)nc(C)n4)c3c2)c1
InChIInChI=1S/C38H29N5/c1-23-7-5-9-28(17-23)30-12-14-32-33-15-13-31(29-10-6-8-24(2)18-29)21-37(33)43(36(32)20-30)35-16-11-27(22-39)19-34(35)38-41-25(3)40-26(4)42-38/h5-21H,1-4H3
InChIKeyJOSBXNPMFMOMOF-UHFFFAOYSA-N
MW555.69 g/mol
LogP9.08
Rot. Bonds4

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

4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile (PubChem CID 134508087) has the molecular formula C38H29N5 and a molecular weight of 555.69 g/mol. Its IUPAC name is 4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile.

Molecular Properties

Compound Name4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
PubChem CID134508087
Molecular FormulaC38H29N5
Molecular Weight555.69 g/mol
Exact Mass555.24
IUPAC Name4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
SMILESCc1cccc(-c2ccc3c4ccc(-c5cccc(C)c5)cc4n(-c4ccc(C#N)cc4-c4nc(C)nc(C)n4)c3c2)c1
InChIInChI=1S/C38H29N5/c1-23-7-5-9-28(17-23)30-12-14-32-33-15-13-31(29-10-6-8-24(2)18-29)21-37(33)43(36(32)20-30)35-16-11-27(22-39)19-34(35)38-41-25(3)40-26(4)42-38/h5-21H,1-4H3
InChIKeyJOSBXNPMFMOMOF-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-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)benzonitrile
CID 134508080
4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476186
3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476167
3-[4-[5-cyano-2-(2,7-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(2,7-diphenylcarbazol-9-yl)benzonitrile
CID 138713564
3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134508047
3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476151
5-[9-[2-[4-[2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-cyanophenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-cyanophenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 138713577
2,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 138729193
3-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134508053
9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole
CID 137414587
4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134508097
5-[9-[4-cyano-2-[4-[5-cyano-2-[2-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 138712671

Frequently Asked Questions

What is the IUPAC name of 4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile?
The IUPAC name of 4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile (CID 134508087) is 4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile.
What is the SMILES notation for 4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile?
The canonical SMILES for 4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile is Cc1cccc(-c2ccc3c4ccc(-c5cccc(C)c5)cc4n(-c4ccc(C#N)cc4-c4nc(C)nc(C)n4)c3c2)c1.
What is the InChIKey of 4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile?
The InChIKey is JOSBXNPMFMOMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H29N5/c1-23-7-5-9-28(17-23)30-12-14-32-33-15-13-31(29-10-6-8-24(2)18-29)21-37(33)43(36(32)20-30)35-16-11-27(22-39)19-34(35)38-41-25(3)40-26(4)42-38/h5-21H,1-4H3.
What are the key properties of 4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile?
4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-(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 4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile is sourced from PubChem (CID 134508087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).