9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]carbazole

C66H42N2 — CID 155333886

About 9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]carbazole

9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]carbazole (PubChem CID 155333886) has the molecular formula C66H42N2 and a molecular weight of 863.08 g/mol. Its IUPAC name is 9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]carbazole.

Molecular Properties

• Compound Name: 9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]carbazole
• PubChem CID: 155333886
• Molecular Formula: C66H42N2
• Molecular Weight: 863.08 g/mol
• Exact Mass: 862.33
• IUPAC Name: 9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]carbazole
• SMILES: c1ccc(-c2ccc3cccc(-c4c5cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5cc5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc45)c3c2)cc1
• InChI: InChI=1S/C66H42N2/c1-4-19-43(20-5-1)45-40-39-44-21-14-30-52(57(44)41-45)64-53-31-15-28-48(50-33-17-37-62-65(50)55-26-10-12-35-60(55)67(62)46-22-6-2-7-23-46)58(53)42-59-49(29-16-32-54(59)64)51-34-18-38-63-66(51)56-27-11-13-36-61(56)68(63)47-24-8-3-9-25-47/h1-42H
• InChIKey: JEYKBOUUHPMLDA-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_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]carbazole?

The IUPAC name of 9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]carbazole (CID 155333886) is 9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]carbazole.

What is the SMILES notation for 9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]carbazole?

The canonical SMILES for 9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]carbazole is c1ccc(-c2ccc3cccc(-c4c5cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5cc5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc45)c3c2)cc1.

What is the InChIKey of 9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]carbazole?

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

What are the key properties of 9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]carbazole?

9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]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-[8-(9-phenylcarbazol-4-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]carbazole is sourced from PubChem (CID 155333886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).