3-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-3-yl)anthracen-1-yl]-9-methylcarbazole

C65H44N2 — CID 155333765

About 3-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-3-yl)anthracen-1-yl]-9-methylcarbazole

3-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-3-yl)anthracen-1-yl]-9-methylcarbazole (PubChem CID 155333765) has the molecular formula C65H44N2 and a molecular weight of 853.08 g/mol. Its IUPAC name is 3-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-3-yl)anthracen-1-yl]-9-methylcarbazole.

Molecular Properties

• Compound Name: 3-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-3-yl)anthracen-1-yl]-9-methylcarbazole
• PubChem CID: 155333765
• Molecular Formula: C65H44N2
• Molecular Weight: 853.08 g/mol
• Exact Mass: 852.35
• IUPAC Name: 3-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-3-yl)anthracen-1-yl]-9-methylcarbazole
• SMILES: Cn1c2ccccc2c2cc(-c3cccc4c(-c5cccc6c5C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cccc(-c6ccc7c(c6)c6ccccc6n7C)c5cc34)ccc21
• InChI: InChI=1S/C65H44N2/c1-66-59-32-13-10-23-48(59)56-38-41(34-36-61(56)66)45-25-15-27-50-54(45)40-55-46(42-35-37-62-57(39-42)49-24-11-14-33-60(49)67(62)2)26-16-28-51(55)63(50)53-30-17-29-52-47-22-9-12-31-58(47)65(64(52)53,43-18-5-3-6-19-43)44-20-7-4-8-21-44/h3-40H,1-2H3
• InChIKey: DXRYDMTYXWVXJU-UHFFFAOYSA-N
• XLogP: 16.65
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.08
LogP ≤ 5	16.65
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 3-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-3-yl)anthracen-1-yl]-9-methylcarbazole?

The IUPAC name of 3-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-3-yl)anthracen-1-yl]-9-methylcarbazole (CID 155333765) is 3-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-3-yl)anthracen-1-yl]-9-methylcarbazole.

What is the SMILES notation for 3-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-3-yl)anthracen-1-yl]-9-methylcarbazole?

The canonical SMILES for 3-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-3-yl)anthracen-1-yl]-9-methylcarbazole is Cn1c2ccccc2c2cc(-c3cccc4c(-c5cccc6c5C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cccc(-c6ccc7c(c6)c6ccccc6n7C)c5cc34)ccc21.

What is the InChIKey of 3-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-3-yl)anthracen-1-yl]-9-methylcarbazole?

The InChIKey is DXRYDMTYXWVXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44N2/c1-66-59-32-13-10-23-48(59)56-38-41(34-36-61(56)66)45-25-15-27-50-54(45)40-55-46(42-35-37-62-57(39-42)49-24-11-14-33-60(49)67(62)2)26-16-28-51(55)63(50)53-30-17-29-52-47-22-9-12-31-58(47)65(64(52)53,43-18-5-3-6-19-43)44-20-7-4-8-21-44/h3-40H,1-2H3.

What are the key properties of 3-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-3-yl)anthracen-1-yl]-9-methylcarbazole?

3-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-3-yl)anthracen-1-yl]-9-methylcarbazole has a molecular weight of 853.08 g/mol, XLogP of 16.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-3-yl)anthracen-1-yl]-9-methylcarbazole is sourced from PubChem (CID 155333765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).