9-phenyl-4-[3-[7-[3-(9-phenylcarbazol-4-yl)phenyl]triphenylen-2-yl]phenyl]carbazole

C66H42N2 — CID 118490695

About 9-phenyl-4-[3-[7-[3-(9-phenylcarbazol-4-yl)phenyl]triphenylen-2-yl]phenyl]carbazole

9-phenyl-4-[3-[7-[3-(9-phenylcarbazol-4-yl)phenyl]triphenylen-2-yl]phenyl]carbazole (PubChem CID 118490695) has the molecular formula C66H42N2 and a molecular weight of 863.08 g/mol. Its IUPAC name is 9-phenyl-4-[3-[7-[3-(9-phenylcarbazol-4-yl)phenyl]triphenylen-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-phenyl-4-[3-[7-[3-(9-phenylcarbazol-4-yl)phenyl]triphenylen-2-yl]phenyl]carbazole
• PubChem CID: 118490695
• Molecular Formula: C66H42N2
• Molecular Weight: 863.08 g/mol
• Exact Mass: 862.33
• IUPAC Name: 9-phenyl-4-[3-[7-[3-(9-phenylcarbazol-4-yl)phenyl]triphenylen-2-yl]phenyl]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3c(-c4cccc(-c5ccc6c7ccc(-c8cccc(-c9cccc%10c9c9ccccc9n%10-c9ccccc9)c8)cc7c7ccccc7c6c5)c4)cccc32)cc1
• InChI: InChI=1S/C66H42N2/c1-3-21-49(22-4-1)67-61-31-11-9-27-57(61)65-51(29-15-33-63(65)67)47-19-13-17-43(39-47)45-35-37-55-56-38-36-46(42-60(56)54-26-8-7-25-53(54)59(55)41-45)44-18-14-20-48(40-44)52-30-16-34-64-66(52)58-28-10-12-32-62(58)68(64)50-23-5-2-6-24-50/h1-42H
• InChIKey: JMVXUXGTHSIRRH-UHFFFAOYSA-N
• XLogP: 18.01
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	863.08
LogP ≤ 5	18.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-4-[3-[7-[3-(9-phenylcarbazol-4-yl)phenyl]triphenylen-2-yl]phenyl]carbazole?

The IUPAC name of 9-phenyl-4-[3-[7-[3-(9-phenylcarbazol-4-yl)phenyl]triphenylen-2-yl]phenyl]carbazole (CID 118490695) is 9-phenyl-4-[3-[7-[3-(9-phenylcarbazol-4-yl)phenyl]triphenylen-2-yl]phenyl]carbazole.

What is the SMILES notation for 9-phenyl-4-[3-[7-[3-(9-phenylcarbazol-4-yl)phenyl]triphenylen-2-yl]phenyl]carbazole?

The canonical SMILES for 9-phenyl-4-[3-[7-[3-(9-phenylcarbazol-4-yl)phenyl]triphenylen-2-yl]phenyl]carbazole is c1ccc(-n2c3ccccc3c3c(-c4cccc(-c5ccc6c7ccc(-c8cccc(-c9cccc%10c9c9ccccc9n%10-c9ccccc9)c8)cc7c7ccccc7c6c5)c4)cccc32)cc1.

What is the InChIKey of 9-phenyl-4-[3-[7-[3-(9-phenylcarbazol-4-yl)phenyl]triphenylen-2-yl]phenyl]carbazole?

The InChIKey is JMVXUXGTHSIRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N2/c1-3-21-49(22-4-1)67-61-31-11-9-27-57(61)65-51(29-15-33-63(65)67)47-19-13-17-43(39-47)45-35-37-55-56-38-36-46(42-60(56)54-26-8-7-25-53(54)59(55)41-45)44-18-14-20-48(40-44)52-30-16-34-64-66(52)58-28-10-12-32-62(58)68(64)50-23-5-2-6-24-50/h1-42H.

What are the key properties of 9-phenyl-4-[3-[7-[3-(9-phenylcarbazol-4-yl)phenyl]triphenylen-2-yl]phenyl]carbazole?

9-phenyl-4-[3-[7-[3-(9-phenylcarbazol-4-yl)phenyl]triphenylen-2-yl]phenyl]carbazole has a molecular weight of 863.08 g/mol, XLogP of 18.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-4-[3-[7-[3-(9-phenylcarbazol-4-yl)phenyl]triphenylen-2-yl]phenyl]carbazole is sourced from PubChem (CID 118490695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).