9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2,7-dimethylcarbazole

C40H29N5 — CID 167261851

IUPAC9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2,7-dimethylcarbazole
SMILESCc1ccc2c3ccc(C)cc3n(-c3ccc(-c4ccncc4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2c1
InChIInChI=1S/C40H29N5/c1-26-13-16-33-34-17-14-27(2)24-37(34)45(36(33)23-26)31-15-18-32(28-19-21-41-22-20-28)35(25-31)40-43-38(29-9-5-3-6-10-29)42-39(44-40)30-11-7-4-8-12-30/h3-25H,1-2H3
InChIKeyVSMLNKGHBGAXMJ-UHFFFAOYSA-N
MW579.71 g/mol
LogP9.65
Rot. Bonds5

About 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2,7-dimethylcarbazole

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2,7-dimethylcarbazole (PubChem CID 167261851) has the molecular formula C40H29N5 and a molecular weight of 579.71 g/mol. Its IUPAC name is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2,7-dimethylcarbazole.

Molecular Properties

Compound Name9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2,7-dimethylcarbazole
PubChem CID167261851
Molecular FormulaC40H29N5
Molecular Weight579.71 g/mol
Exact Mass579.24
IUPAC Name9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2,7-dimethylcarbazole
SMILESCc1ccc2c3ccc(C)cc3n(-c3ccc(-c4ccncc4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2c1
InChIInChI=1S/C40H29N5/c1-26-13-16-33-34-17-14-27(2)24-37(34)45(36(33)23-26)31-15-18-32(28-19-21-41-22-20-28)35(25-31)40-43-38(29-9-5-3-6-10-29)42-39(44-40)30-11-7-4-8-12-30/h3-25H,1-2H3
InChIKeyVSMLNKGHBGAXMJ-UHFFFAOYSA-N
XLogP9.65
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.71
LogP ≤ 59.65
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-methylcarbazole
CID 138578667
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
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-3,6-diphenylcarbazole
CID 142560205
9-[4-(2,4-difluorophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole
CID 138565422
9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]phenyl]-3,6-dimethylcarbazole
CID 139533365
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-[3-(trifluoromethyl)phenyl]phenyl]-2-methylcarbazole
CID 138486436
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 162611962
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-2-(3-methylphenyl)carbazole
CID 138578568
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole
CID 142543846
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-fluorophenyl)phenyl]-3,6-dimethylcarbazole;ethane
CID 142555822

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2,7-dimethylcarbazole?
The IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2,7-dimethylcarbazole (CID 167261851) is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2,7-dimethylcarbazole.
What is the SMILES notation for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2,7-dimethylcarbazole?
The canonical SMILES for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2,7-dimethylcarbazole is Cc1ccc2c3ccc(C)cc3n(-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]-2,7-dimethylcarbazole?
The InChIKey is VSMLNKGHBGAXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N5/c1-26-13-16-33-34-17-14-27(2)24-37(34)45(36(33)23-26)31-15-18-32(28-19-21-41-22-20-28)35(25-31)40-43-38(29-9-5-3-6-10-29)42-39(44-40)30-11-7-4-8-12-30/h3-25H,1-2H3.
What are the key properties of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2,7-dimethylcarbazole?
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2,7-dimethylcarbazole has a molecular weight of 579.71 g/mol, XLogP of 9.65, 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]-2,7-dimethylcarbazole is sourced from PubChem (CID 167261851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).