3-[9-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-3-yl]-9-(4,6-diphenyl-2-pyridinyl)-6-phenylcarbazole

C77H50N4 — CID 88866629

About 3-[9-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-3-yl]-9-(4,6-diphenyl-2-pyridinyl)-6-phenylcarbazole

3-[9-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-3-yl]-9-(4,6-diphenyl-2-pyridinyl)-6-phenylcarbazole (PubChem CID 88866629) has the molecular formula C77H50N4 and a molecular weight of 1031.28 g/mol. Its IUPAC name is 3-[9-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-3-yl]-9-(4,6-diphenyl-2-pyridinyl)-6-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[9-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-3-yl]-9-(4,6-diphenyl-2-pyridinyl)-6-phenylcarbazole
• PubChem CID: 88866629
• Molecular Formula: C77H50N4
• Molecular Weight: 1031.28 g/mol
• Exact Mass: 1030.40
• IUPAC Name: 3-[9-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-3-yl]-9-(4,6-diphenyl-2-pyridinyl)-6-phenylcarbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccccc5)ccc43)c2)cc1
• InChI: InChI=1S/C77H50N4/c1-7-19-51(20-8-1)56-32-38-72-64(43-56)65-46-59(34-39-73(65)80(72)63-36-42-74-69(50-63)68-45-57(52-21-9-2-10-22-52)31-37-71(68)79(74)62-29-17-6-18-30-62)60-35-41-76-67(47-60)66-44-58(53-23-11-3-12-24-53)33-40-75(66)81(76)77-49-61(54-25-13-4-14-26-54)48-70(78-77)55-27-15-5-16-28-55/h1-50H
• InChIKey: LEDLVNSUFMGQPH-UHFFFAOYSA-N
• XLogP: 20.37
• TPSA: 27.68 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1031.28
LogP ≤ 5	20.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[9-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-3-yl]-9-(4,6-diphenyl-2-pyridinyl)-6-phenylcarbazole?

The IUPAC name of 3-[9-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-3-yl]-9-(4,6-diphenyl-2-pyridinyl)-6-phenylcarbazole (CID 88866629) is 3-[9-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-3-yl]-9-(4,6-diphenyl-2-pyridinyl)-6-phenylcarbazole.

What is the SMILES notation for 3-[9-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-3-yl]-9-(4,6-diphenyl-2-pyridinyl)-6-phenylcarbazole?

The canonical SMILES for 3-[9-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-3-yl]-9-(4,6-diphenyl-2-pyridinyl)-6-phenylcarbazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccccc5)ccc43)c2)cc1.

What is the InChIKey of 3-[9-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-3-yl]-9-(4,6-diphenyl-2-pyridinyl)-6-phenylcarbazole?

The InChIKey is LEDLVNSUFMGQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H50N4/c1-7-19-51(20-8-1)56-32-38-72-64(43-56)65-46-59(34-39-73(65)80(72)63-36-42-74-69(50-63)68-45-57(52-21-9-2-10-22-52)31-37-71(68)79(74)62-29-17-6-18-30-62)60-35-41-76-67(47-60)66-44-58(53-23-11-3-12-24-53)33-40-75(66)81(76)77-49-61(54-25-13-4-14-26-54)48-70(78-77)55-27-15-5-16-28-55/h1-50H.

What are the key properties of 3-[9-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-3-yl]-9-(4,6-diphenyl-2-pyridinyl)-6-phenylcarbazole?

3-[9-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-3-yl]-9-(4,6-diphenyl-2-pyridinyl)-6-phenylcarbazole has a molecular weight of 1031.28 g/mol, XLogP of 20.37, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-3-yl]-9-(4,6-diphenyl-2-pyridinyl)-6-phenylcarbazole is sourced from PubChem (CID 88866629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).