9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-isocyanocarbazole;9-(3,5-dipyridin-2-ylphenyl)-3,6-diphenylcarbazole;9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole

C114H75N11 — CID 157122451

About 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-isocyanocarbazole;9-(3,5-dipyridin-2-ylphenyl)-3,6-diphenylcarbazole;9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-isocyanocarbazole;9-(3,5-dipyridin-2-ylphenyl)-3,6-diphenylcarbazole;9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole (PubChem CID 157122451) has the molecular formula C114H75N11 and a molecular weight of 1598.93 g/mol. Its IUPAC name is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-isocyanocarbazole;9-(3,5-dipyridin-2-ylphenyl)-3,6-diphenylcarbazole;9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-isocyanocarbazole;9-(3,5-dipyridin-2-ylphenyl)-3,6-diphenylcarbazole;9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
• PubChem CID: 157122451
• Molecular Formula: C114H75N11
• Molecular Weight: 1598.93 g/mol
• Exact Mass: 1597.62
• IUPAC Name: 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-isocyanocarbazole;9-(3,5-dipyridin-2-ylphenyl)-3,6-diphenylcarbazole;9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
• SMILES: [C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.c1ccc(-c2ccc(-c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cc(-c3ccccn3)cc(-c3ccccn3)c2)cc1
• InChI: InChI=1S/2C40H27N3.C34H21N5/c1-3-12-28(13-4-1)29-22-24-30(25-23-29)36-27-37(42-40(41-36)31-14-5-2-6-15-31)32-16-11-17-33(26-32)43-38-20-9-7-18-34(38)35-19-8-10-21-39(35)43;1-3-11-28(12-4-1)30-17-19-39-35(26-30)36-27-31(29-13-5-2-6-14-29)18-20-40(36)43(39)34-24-32(37-15-7-9-21-41-37)23-33(25-34)38-16-8-10-22-42-38;1-35-26-19-20-31-29(22-26)28-17-8-9-18-30(28)39(31)27-16-10-15-25(21-27)34-37-32(23-11-4-2-5-12-23)36-33(38-34)24-13-6-3-7-14-24/h2*1-27H;2-22H
• InChIKey: AIDCMUNHOGHSOI-UHFFFAOYSA-N
• XLogP: 29.00
• TPSA: 109.38 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1598.93
LogP ≤ 5	29.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-isocyanocarbazole;9-(3,5-dipyridin-2-ylphenyl)-3,6-diphenylcarbazole;9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole?

The IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-isocyanocarbazole;9-(3,5-dipyridin-2-ylphenyl)-3,6-diphenylcarbazole;9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole (CID 157122451) is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-isocyanocarbazole;9-(3,5-dipyridin-2-ylphenyl)-3,6-diphenylcarbazole;9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole.

What is the SMILES notation for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-isocyanocarbazole;9-(3,5-dipyridin-2-ylphenyl)-3,6-diphenylcarbazole;9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole?

The canonical SMILES for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-isocyanocarbazole;9-(3,5-dipyridin-2-ylphenyl)-3,6-diphenylcarbazole;9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole is [C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.c1ccc(-c2ccc(-c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cc(-c3ccccn3)cc(-c3ccccn3)c2)cc1.

What is the InChIKey of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-isocyanocarbazole;9-(3,5-dipyridin-2-ylphenyl)-3,6-diphenylcarbazole;9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole?

The InChIKey is AIDCMUNHOGHSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C40H27N3.C34H21N5/c1-3-12-28(13-4-1)29-22-24-30(25-23-29)36-27-37(42-40(41-36)31-14-5-2-6-15-31)32-16-11-17-33(26-32)43-38-20-9-7-18-34(38)35-19-8-10-21-39(35)43;1-3-11-28(12-4-1)30-17-19-39-35(26-30)36-27-31(29-13-5-2-6-14-29)18-20-40(36)43(39)34-24-32(37-15-7-9-21-41-37)23-33(25-34)38-16-8-10-22-42-38;1-35-26-19-20-31-29(22-26)28-17-8-9-18-30(28)39(31)27-16-10-15-25(21-27)34-37-32(23-11-4-2-5-12-23)36-33(38-34)24-13-6-3-7-14-24/h2*1-27H;2-22H.

What are the key properties of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-isocyanocarbazole;9-(3,5-dipyridin-2-ylphenyl)-3,6-diphenylcarbazole;9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole?

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-isocyanocarbazole;9-(3,5-dipyridin-2-ylphenyl)-3,6-diphenylcarbazole;9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole has a molecular weight of 1598.93 g/mol, XLogP of 29.00, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-isocyanocarbazole;9-(3,5-dipyridin-2-ylphenyl)-3,6-diphenylcarbazole;9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole is sourced from PubChem (CID 157122451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).