4-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(9-methylcarbazol-4-yl)anthracen-1-yl]-9-methylcarbazole

C67H48N2 — CID 155333058

About 4-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(9-methylcarbazol-4-yl)anthracen-1-yl]-9-methylcarbazole

4-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(9-methylcarbazol-4-yl)anthracen-1-yl]-9-methylcarbazole (PubChem CID 155333058) has the molecular formula C67H48N2 and a molecular weight of 881.13 g/mol. Its IUPAC name is 4-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(9-methylcarbazol-4-yl)anthracen-1-yl]-9-methylcarbazole.

Molecular Properties

• Compound Name: 4-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(9-methylcarbazol-4-yl)anthracen-1-yl]-9-methylcarbazole
• PubChem CID: 155333058
• Molecular Formula: C67H48N2
• Molecular Weight: 881.13 g/mol
• Exact Mass: 880.38
• IUPAC Name: 4-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(9-methylcarbazol-4-yl)anthracen-1-yl]-9-methylcarbazole
• SMILES: Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3cccc(-c4c5cccc(-c6cccc7c6c6ccccc6n7C)c5cc5c(-c6cccc7c6c6ccccc6n7C)cccc45)c32)cc1
• InChI: InChI=1S/C67H48N2/c1-41-32-36-43(37-33-41)67(44-38-34-42(2)35-39-44)58-27-8-5-16-47(58)52-25-13-26-55(66(52)67)63-50-21-11-19-45(48-23-14-30-61-64(48)53-17-6-9-28-59(53)68(61)3)56(50)40-57-46(20-12-22-51(57)63)49-24-15-31-62-65(49)54-18-7-10-29-60(54)69(62)4/h5-40H,1-4H3
• InChIKey: OPEZWCLYCZXKNM-UHFFFAOYSA-N
• XLogP: 17.26
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	881.13
LogP ≤ 5	17.26
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 4-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(9-methylcarbazol-4-yl)anthracen-1-yl]-9-methylcarbazole?

The IUPAC name of 4-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(9-methylcarbazol-4-yl)anthracen-1-yl]-9-methylcarbazole (CID 155333058) is 4-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(9-methylcarbazol-4-yl)anthracen-1-yl]-9-methylcarbazole.

What is the SMILES notation for 4-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(9-methylcarbazol-4-yl)anthracen-1-yl]-9-methylcarbazole?

The canonical SMILES for 4-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(9-methylcarbazol-4-yl)anthracen-1-yl]-9-methylcarbazole is Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3cccc(-c4c5cccc(-c6cccc7c6c6ccccc6n7C)c5cc5c(-c6cccc7c6c6ccccc6n7C)cccc45)c32)cc1.

What is the InChIKey of 4-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(9-methylcarbazol-4-yl)anthracen-1-yl]-9-methylcarbazole?

The InChIKey is OPEZWCLYCZXKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H48N2/c1-41-32-36-43(37-33-41)67(44-38-34-42(2)35-39-44)58-27-8-5-16-47(58)52-25-13-26-55(66(52)67)63-50-21-11-19-45(48-23-14-30-61-64(48)53-17-6-9-28-59(53)68(61)3)56(50)40-57-46(20-12-22-51(57)63)49-24-15-31-62-65(49)54-18-7-10-29-60(54)69(62)4/h5-40H,1-4H3.

What are the key properties of 4-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(9-methylcarbazol-4-yl)anthracen-1-yl]-9-methylcarbazole?

4-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(9-methylcarbazol-4-yl)anthracen-1-yl]-9-methylcarbazole has a molecular weight of 881.13 g/mol, XLogP of 17.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(9-methylcarbazol-4-yl)anthracen-1-yl]-9-methylcarbazole is sourced from PubChem (CID 155333058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).