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

C54H41N5 — CID 138579172

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

2,7-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]carbazole (PubChem CID 138579172) has the molecular formula C54H41N5 and a molecular weight of 759.96 g/mol. Its IUPAC name is 2,7-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]carbazole.

Molecular Properties

• Compound Name: 2,7-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]carbazole
• PubChem CID: 138579172
• Molecular Formula: C54H41N5
• Molecular Weight: 759.96 g/mol
• Exact Mass: 759.34
• IUPAC Name: 2,7-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]carbazole
• SMILES: Cc1cc(C)cc(-c2ccc3c4ccc(-c5cc(C)cc(C)c5)cc4n(-c4ccc(-c5ccncc5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1
• InChI: InChI=1S/C54H41N5/c1-34-25-35(2)28-44(27-34)42-15-18-46-47-19-16-43(45-29-36(3)26-37(4)30-45)33-51(47)59(50(46)32-42)49-20-17-41(38-21-23-55-24-22-38)31-48(49)54-57-52(39-11-7-5-8-12-39)56-53(58-54)40-13-9-6-10-14-40/h5-33H,1-4H3
• InChIKey: VZCLDQLKYRRGEY-UHFFFAOYSA-N
• XLogP: 13.60
• TPSA: 56.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	759.96
LogP ≤ 5	13.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]carbazole?

The IUPAC name of 2,7-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]carbazole (CID 138579172) is 2,7-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]carbazole.

What is the SMILES notation for 2,7-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]carbazole?

The canonical SMILES for 2,7-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]carbazole is Cc1cc(C)cc(-c2ccc3c4ccc(-c5cc(C)cc(C)c5)cc4n(-c4ccc(-c5ccncc5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1.

What is the InChIKey of 2,7-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]carbazole?

The InChIKey is VZCLDQLKYRRGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41N5/c1-34-25-35(2)28-44(27-34)42-15-18-46-47-19-16-43(45-29-36(3)26-37(4)30-45)33-51(47)59(50(46)32-42)49-20-17-41(38-21-23-55-24-22-38)31-48(49)54-57-52(39-11-7-5-8-12-39)56-53(58-54)40-13-9-6-10-14-40/h5-33H,1-4H3.

What are the key properties of 2,7-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]carbazole?

2,7-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]carbazole has a molecular weight of 759.96 g/mol, XLogP of 13.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]carbazole is sourced from PubChem (CID 138579172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).