9-phenyl-2-[8-(9-phenylcarbazol-2-yl)-10-(6-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole

C66H42N2 — CID 155334848

About 9-phenyl-2-[8-(9-phenylcarbazol-2-yl)-10-(6-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole

9-phenyl-2-[8-(9-phenylcarbazol-2-yl)-10-(6-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole (PubChem CID 155334848) has the molecular formula C66H42N2 and a molecular weight of 863.08 g/mol. Its IUPAC name is 9-phenyl-2-[8-(9-phenylcarbazol-2-yl)-10-(6-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole.

Molecular Properties

• Compound Name: 9-phenyl-2-[8-(9-phenylcarbazol-2-yl)-10-(6-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
• PubChem CID: 155334848
• Molecular Formula: C66H42N2
• Molecular Weight: 863.08 g/mol
• Exact Mass: 862.33
• IUPAC Name: 9-phenyl-2-[8-(9-phenylcarbazol-2-yl)-10-(6-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
• SMILES: c1ccc(-c2ccc3cc(-c4c5cccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5cc5c(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cccc45)ccc3c2)cc1
• InChI: InChI=1S/C66H42N2/c1-4-16-43(17-5-1)44-30-31-46-39-49(33-32-45(46)38-44)66-58-26-14-24-52(47-34-36-56-54-22-10-12-28-62(54)67(64(56)40-47)50-18-6-2-7-19-50)60(58)42-61-53(25-15-27-59(61)66)48-35-37-57-55-23-11-13-29-63(55)68(65(57)41-48)51-20-8-3-9-21-51/h1-42H
• InChIKey: PDQUAPOJRFHNME-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-2-[8-(9-phenylcarbazol-2-yl)-10-(6-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole?

The IUPAC name of 9-phenyl-2-[8-(9-phenylcarbazol-2-yl)-10-(6-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole (CID 155334848) is 9-phenyl-2-[8-(9-phenylcarbazol-2-yl)-10-(6-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole.

What is the SMILES notation for 9-phenyl-2-[8-(9-phenylcarbazol-2-yl)-10-(6-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole?

The canonical SMILES for 9-phenyl-2-[8-(9-phenylcarbazol-2-yl)-10-(6-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole is c1ccc(-c2ccc3cc(-c4c5cccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5cc5c(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cccc45)ccc3c2)cc1.

What is the InChIKey of 9-phenyl-2-[8-(9-phenylcarbazol-2-yl)-10-(6-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole?

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

What are the key properties of 9-phenyl-2-[8-(9-phenylcarbazol-2-yl)-10-(6-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole?

9-phenyl-2-[8-(9-phenylcarbazol-2-yl)-10-(6-phenylnaphthalen-2-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-2-[8-(9-phenylcarbazol-2-yl)-10-(6-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole is sourced from PubChem (CID 155334848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).