9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-methylcarbazole

C39H27N5 — CID 138578667

IUPAC9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-methylcarbazole
SMILESCc1ccc2c3ccccc3n(-c3ccc(-c4ccncc4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2c1
InChIInChI=1S/C39H27N5/c1-26-16-18-33-32-14-8-9-15-35(32)44(36(33)24-26)30-17-19-31(27-20-22-40-23-21-27)34(25-30)39-42-37(28-10-4-2-5-11-28)41-38(43-39)29-12-6-3-7-13-29/h2-25H,1H3
InChIKeyYWVDNXGLEJZICU-UHFFFAOYSA-N
MW565.68 g/mol
LogP9.34
Rot. Bonds5

About 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-methylcarbazole

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-methylcarbazole (PubChem CID 138578667) has the molecular formula C39H27N5 and a molecular weight of 565.68 g/mol. Its IUPAC name is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-methylcarbazole.

Molecular Properties

Compound Name9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-methylcarbazole
PubChem CID138578667
Molecular FormulaC39H27N5
Molecular Weight565.68 g/mol
Exact Mass565.23
IUPAC Name9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-methylcarbazole
SMILESCc1ccc2c3ccccc3n(-c3ccc(-c4ccncc4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2c1
InChIInChI=1S/C39H27N5/c1-26-16-18-33-32-14-8-9-15-35(32)44(36(33)24-26)30-17-19-31(27-20-22-40-23-21-27)34(25-30)39-42-37(28-10-4-2-5-11-28)41-38(43-39)29-12-6-3-7-13-29/h2-25H,1H3
InChIKeyYWVDNXGLEJZICU-UHFFFAOYSA-N
XLogP9.34
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.68
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2,7-dimethylcarbazole
CID 167261851
2-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]carbazole
CID 167261829
2-methyl-9-[9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]carbazole
CID 170097956
2,7-di(carbazol-9-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-4-ylphenyl]carbazole
CID 167262180
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-3,6-diphenylcarbazole
CID 142560205
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-2-methylcarbazole
CID 138486436
9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]phenyl]-3,6-dimethylcarbazole
CID 139533365
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-2-(3-methylphenyl)carbazole
CID 138578568
9-[4-(2,4-difluorophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole
CID 138565422
9-phenyl-3-[4-[4-(2-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164843478
9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 118698991
3-[2-[4-[2-(3-cyanophenyl)-5-(3-methylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3-methylcarbazol-9-yl)phenyl]benzonitrile
CID 154950457

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-methylcarbazole?
The IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-methylcarbazole (CID 138578667) is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-methylcarbazole.
What is the SMILES notation for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-methylcarbazole?
The canonical SMILES for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-methylcarbazole is Cc1ccc2c3ccccc3n(-c3ccc(-c4ccncc4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2c1.
What is the InChIKey of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-methylcarbazole?
The InChIKey is YWVDNXGLEJZICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N5/c1-26-16-18-33-32-14-8-9-15-35(32)44(36(33)24-26)30-17-19-31(27-20-22-40-23-21-27)34(25-30)39-42-37(28-10-4-2-5-11-28)41-38(43-39)29-12-6-3-7-13-29/h2-25H,1H3.
What are the key properties of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-methylcarbazole?
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-methylcarbazole has a molecular weight of 565.68 g/mol, XLogP of 9.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-methylcarbazole is sourced from PubChem (CID 138578667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).