3,6-di(phenanthren-9-yl)-9-[7-(4-phenylphenyl)-9H-fluoren-2-yl]carbazole

C65H41N — CID 118475163

About 3,6-di(phenanthren-9-yl)-9-[7-(4-phenylphenyl)-9H-fluoren-2-yl]carbazole

3,6-di(phenanthren-9-yl)-9-[7-(4-phenylphenyl)-9H-fluoren-2-yl]carbazole (PubChem CID 118475163) has the molecular formula C65H41N and a molecular weight of 836.05 g/mol. Its IUPAC name is 3,6-di(phenanthren-9-yl)-9-[7-(4-phenylphenyl)-9H-fluoren-2-yl]carbazole.

Molecular Properties

• Compound Name: 3,6-di(phenanthren-9-yl)-9-[7-(4-phenylphenyl)-9H-fluoren-2-yl]carbazole
• PubChem CID: 118475163
• Molecular Formula: C65H41N
• Molecular Weight: 836.05 g/mol
• Exact Mass: 835.32
• IUPAC Name: 3,6-di(phenanthren-9-yl)-9-[7-(4-phenylphenyl)-9H-fluoren-2-yl]carbazole
• SMILES: c1ccc(-c2ccc(-c3ccc4c(c3)Cc3cc(-n5c6ccc(-c7cc8ccccc8c8ccccc78)cc6c6cc(-c7cc8ccccc8c8ccccc78)ccc65)ccc3-4)cc2)cc1
• InChI: InChI=1S/C65H41N/c1-2-12-41(13-3-1)42-22-24-43(25-23-42)44-26-30-54-49(34-44)35-50-36-51(29-31-55(50)54)66-64-32-27-47(60-37-45-14-4-6-16-52(45)56-18-8-10-20-58(56)60)39-62(64)63-40-48(28-33-65(63)66)61-38-46-15-5-7-17-53(46)57-19-9-11-21-59(57)61/h1-34,36-40H,35H2
• InChIKey: FOQXTDGROXYDGS-UHFFFAOYSA-N
• XLogP: 17.64
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	836.05
LogP ≤ 5	17.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,6-di(phenanthren-9-yl)-9-[7-(4-phenylphenyl)-9H-fluoren-2-yl]carbazole?

The IUPAC name of 3,6-di(phenanthren-9-yl)-9-[7-(4-phenylphenyl)-9H-fluoren-2-yl]carbazole (CID 118475163) is 3,6-di(phenanthren-9-yl)-9-[7-(4-phenylphenyl)-9H-fluoren-2-yl]carbazole.

What is the SMILES notation for 3,6-di(phenanthren-9-yl)-9-[7-(4-phenylphenyl)-9H-fluoren-2-yl]carbazole?

The canonical SMILES for 3,6-di(phenanthren-9-yl)-9-[7-(4-phenylphenyl)-9H-fluoren-2-yl]carbazole is c1ccc(-c2ccc(-c3ccc4c(c3)Cc3cc(-n5c6ccc(-c7cc8ccccc8c8ccccc78)cc6c6cc(-c7cc8ccccc8c8ccccc78)ccc65)ccc3-4)cc2)cc1.

What is the InChIKey of 3,6-di(phenanthren-9-yl)-9-[7-(4-phenylphenyl)-9H-fluoren-2-yl]carbazole?

The InChIKey is FOQXTDGROXYDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41N/c1-2-12-41(13-3-1)42-22-24-43(25-23-42)44-26-30-54-49(34-44)35-50-36-51(29-31-55(50)54)66-64-32-27-47(60-37-45-14-4-6-16-52(45)56-18-8-10-20-58(56)60)39-62(64)63-40-48(28-33-65(63)66)61-38-46-15-5-7-17-53(46)57-19-9-11-21-59(57)61/h1-34,36-40H,35H2.

What are the key properties of 3,6-di(phenanthren-9-yl)-9-[7-(4-phenylphenyl)-9H-fluoren-2-yl]carbazole?

3,6-di(phenanthren-9-yl)-9-[7-(4-phenylphenyl)-9H-fluoren-2-yl]carbazole has a molecular weight of 836.05 g/mol, XLogP of 17.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-di(phenanthren-9-yl)-9-[7-(4-phenylphenyl)-9H-fluoren-2-yl]carbazole is sourced from PubChem (CID 118475163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).