4-[10-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole

C65H44N2 — CID 155334819

About 4-[10-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole

4-[10-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole (PubChem CID 155334819) has the molecular formula C65H44N2 and a molecular weight of 853.08 g/mol. Its IUPAC name is 4-[10-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 4-[10-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole
• PubChem CID: 155334819
• Molecular Formula: C65H44N2
• Molecular Weight: 853.08 g/mol
• Exact Mass: 852.35
• IUPAC Name: 4-[10-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4cc4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc34)cc21
• InChI: InChI=1S/C65H44N2/c1-65(2)56-32-12-9-23-46(56)47-38-37-41(39-57(47)65)62-50-28-15-26-44(48-30-17-35-60-63(48)52-24-10-13-33-58(52)66(60)42-19-5-3-6-20-42)54(50)40-55-45(27-16-29-51(55)62)49-31-18-36-61-64(49)53-25-11-14-34-59(53)67(61)43-21-7-4-8-22-43/h3-40H,1-2H3
• InChIKey: FVYDFVJYEVQGRU-UHFFFAOYSA-N
• XLogP: 17.49
• 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	17.49
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-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole?

The IUPAC name of 4-[10-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole (CID 155334819) is 4-[10-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole.

What is the SMILES notation for 4-[10-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole?

The canonical SMILES for 4-[10-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole is CC1(C)c2ccccc2-c2ccc(-c3c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4cc4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc34)cc21.

What is the InChIKey of 4-[10-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole?

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

What are the key properties of 4-[10-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole?

4-[10-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole has a molecular weight of 853.08 g/mol, XLogP of 17.49, 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-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole is sourced from PubChem (CID 155334819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).