3,6-diphenyl-9-[5-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)pyrimidin-2-yl]carbazole;9-(5-imidazo[1,2-a]pyridin-2-ylpyrimidin-2-yl)carbazole;9-[5-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]carbazole

C96H62N18 — CID 162194616

About 3,6-diphenyl-9-[5-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)pyrimidin-2-yl]carbazole;9-(5-imidazo[1,2-a]pyridin-2-ylpyrimidin-2-yl)carbazole;9-[5-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]carbazole

3,6-diphenyl-9-[5-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)pyrimidin-2-yl]carbazole;9-(5-imidazo[1,2-a]pyridin-2-ylpyrimidin-2-yl)carbazole;9-[5-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]carbazole (PubChem CID 162194616) has the molecular formula C96H62N18 and a molecular weight of 1467.68 g/mol. Its IUPAC name is 3,6-diphenyl-9-[5-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)pyrimidin-2-yl]carbazole;9-(5-imidazo[1,2-a]pyridin-2-ylpyrimidin-2-yl)carbazole;9-[5-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]carbazole.

Molecular Properties

• Compound Name: 3,6-diphenyl-9-[5-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)pyrimidin-2-yl]carbazole;9-(5-imidazo[1,2-a]pyridin-2-ylpyrimidin-2-yl)carbazole;9-[5-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]carbazole
• PubChem CID: 162194616
• Molecular Formula: C96H62N18
• Molecular Weight: 1467.68 g/mol
• Exact Mass: 1466.54
• IUPAC Name: 3,6-diphenyl-9-[5-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)pyrimidin-2-yl]carbazole;9-(5-imidazo[1,2-a]pyridin-2-ylpyrimidin-2-yl)carbazole;9-[5-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]carbazole
• SMILES: c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ncc(-c3cc(-c4ccccn4)nc(-c4ccccc4)n3)cn2)cc1.c1ccc(-c2nc(-c3cnc(-n4c5ccccc5c5ccccc54)nc3)nc(-c3ccccn3)n2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ncc(-c2cn3ccccc3n2)cn1
• InChI: InChI=1S/C43H28N6.C30H19N7.C23H15N5/c1-4-12-29(13-5-1)32-19-21-40-35(24-32)36-25-33(30-14-6-2-7-15-30)20-22-41(36)49(40)43-45-27-34(28-46-43)38-26-39(37-18-10-11-23-44-37)48-42(47-38)31-16-8-3-9-17-31;1-2-10-20(11-3-1)27-34-28(36-29(35-27)24-14-8-9-17-31-24)21-18-32-30(33-19-21)37-25-15-6-4-12-22(25)23-13-5-7-16-26(23)37;1-3-9-20-17(7-1)18-8-2-4-10-21(18)28(20)23-24-13-16(14-25-23)19-15-27-12-6-5-11-22(27)26-19/h1-28H;1-19H;1-15H
• InChIKey: ZQTUPKMUTOOSQH-UHFFFAOYSA-N
• XLogP: 21.14
• TPSA: 199.66 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1467.68
LogP ≤ 5	21.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 3,6-diphenyl-9-[5-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)pyrimidin-2-yl]carbazole;9-(5-imidazo[1,2-a]pyridin-2-ylpyrimidin-2-yl)carbazole;9-[5-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]carbazole?

The IUPAC name of 3,6-diphenyl-9-[5-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)pyrimidin-2-yl]carbazole;9-(5-imidazo[1,2-a]pyridin-2-ylpyrimidin-2-yl)carbazole;9-[5-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]carbazole (CID 162194616) is 3,6-diphenyl-9-[5-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)pyrimidin-2-yl]carbazole;9-(5-imidazo[1,2-a]pyridin-2-ylpyrimidin-2-yl)carbazole;9-[5-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]carbazole.

What is the SMILES notation for 3,6-diphenyl-9-[5-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)pyrimidin-2-yl]carbazole;9-(5-imidazo[1,2-a]pyridin-2-ylpyrimidin-2-yl)carbazole;9-[5-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]carbazole?

The canonical SMILES for 3,6-diphenyl-9-[5-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)pyrimidin-2-yl]carbazole;9-(5-imidazo[1,2-a]pyridin-2-ylpyrimidin-2-yl)carbazole;9-[5-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]carbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ncc(-c3cc(-c4ccccn4)nc(-c4ccccc4)n3)cn2)cc1.c1ccc(-c2nc(-c3cnc(-n4c5ccccc5c5ccccc54)nc3)nc(-c3ccccn3)n2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ncc(-c2cn3ccccc3n2)cn1.

What is the InChIKey of 3,6-diphenyl-9-[5-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)pyrimidin-2-yl]carbazole;9-(5-imidazo[1,2-a]pyridin-2-ylpyrimidin-2-yl)carbazole;9-[5-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]carbazole?

The InChIKey is ZQTUPKMUTOOSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N6.C30H19N7.C23H15N5/c1-4-12-29(13-5-1)32-19-21-40-35(24-32)36-25-33(30-14-6-2-7-15-30)20-22-41(36)49(40)43-45-27-34(28-46-43)38-26-39(37-18-10-11-23-44-37)48-42(47-38)31-16-8-3-9-17-31;1-2-10-20(11-3-1)27-34-28(36-29(35-27)24-14-8-9-17-31-24)21-18-32-30(33-19-21)37-25-15-6-4-12-22(25)23-13-5-7-16-26(23)37;1-3-9-20-17(7-1)18-8-2-4-10-21(18)28(20)23-24-13-16(14-25-23)19-15-27-12-6-5-11-22(27)26-19/h1-28H;1-19H;1-15H.

What are the key properties of 3,6-diphenyl-9-[5-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)pyrimidin-2-yl]carbazole;9-(5-imidazo[1,2-a]pyridin-2-ylpyrimidin-2-yl)carbazole;9-[5-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]carbazole?

3,6-diphenyl-9-[5-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)pyrimidin-2-yl]carbazole;9-(5-imidazo[1,2-a]pyridin-2-ylpyrimidin-2-yl)carbazole;9-[5-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]carbazole has a molecular weight of 1467.68 g/mol, XLogP of 21.14, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-diphenyl-9-[5-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)pyrimidin-2-yl]carbazole;9-(5-imidazo[1,2-a]pyridin-2-ylpyrimidin-2-yl)carbazole;9-[5-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]carbazole is sourced from PubChem (CID 162194616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).