9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole

C64H42N4 — CID 118289395

About 9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole

9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole (PubChem CID 118289395) has the molecular formula C64H42N4 and a molecular weight of 867.07 g/mol. Its IUPAC name is 9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
• PubChem CID: 118289395
• Molecular Formula: C64H42N4
• Molecular Weight: 867.07 g/mol
• Exact Mass: 866.34
• IUPAC Name: 9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
• SMILES: c1ccc(-c2cc(-c3ccc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)cc3)cc(-c3ccccn3)n2)cc1
• InChI: InChI=1S/C64H42N4/c1-4-16-45(17-5-1)59-40-51(41-60(66-59)58-24-14-15-35-65-58)44-29-27-43(28-30-44)48-36-49(46-32-34-63-57(39-46)55-23-11-13-26-62(55)67(63)52-18-6-2-7-19-52)38-50(37-48)47-31-33-56-54-22-10-12-25-61(54)68(64(56)42-47)53-20-8-3-9-21-53/h1-42H
• InChIKey: PJCXAAFDLKYQMA-UHFFFAOYSA-N
• XLogP: 16.67
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	867.07
LogP ≤ 5	16.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole?

The IUPAC name of 9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole (CID 118289395) is 9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole.

What is the SMILES notation for 9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole?

The canonical SMILES for 9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole is c1ccc(-c2cc(-c3ccc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)cc3)cc(-c3ccccn3)n2)cc1.

What is the InChIKey of 9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole?

The InChIKey is PJCXAAFDLKYQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N4/c1-4-16-45(17-5-1)59-40-51(41-60(66-59)58-24-14-15-35-65-58)44-29-27-43(28-30-44)48-36-49(46-32-34-63-57(39-46)55-23-11-13-26-62(55)67(63)52-18-6-2-7-19-52)38-50(37-48)47-31-33-56-54-22-10-12-25-61(54)68(64(56)42-47)53-20-8-3-9-21-53/h1-42H.

What are the key properties of 9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole?

9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole has a molecular weight of 867.07 g/mol, XLogP of 16.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 118289395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).