3-[(9,9-dimethylfluoren-2-yl)-[4-(9,9-dimethylfluoren-2-yl)phenyl]methyl]-9-phenylcarbazole

C55H43N — CID 139540569

About 3-[(9,9-dimethylfluoren-2-yl)-[4-(9,9-dimethylfluoren-2-yl)phenyl]methyl]-9-phenylcarbazole

3-[(9,9-dimethylfluoren-2-yl)-[4-(9,9-dimethylfluoren-2-yl)phenyl]methyl]-9-phenylcarbazole (PubChem CID 139540569) has the molecular formula C55H43N and a molecular weight of 717.96 g/mol. Its IUPAC name is 3-[(9,9-dimethylfluoren-2-yl)-[4-(9,9-dimethylfluoren-2-yl)phenyl]methyl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[(9,9-dimethylfluoren-2-yl)-[4-(9,9-dimethylfluoren-2-yl)phenyl]methyl]-9-phenylcarbazole
• PubChem CID: 139540569
• Molecular Formula: C55H43N
• Molecular Weight: 717.96 g/mol
• Exact Mass: 717.34
• IUPAC Name: 3-[(9,9-dimethylfluoren-2-yl)-[4-(9,9-dimethylfluoren-2-yl)phenyl]methyl]-9-phenylcarbazole
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc(C(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc21
• InChI: InChI=1S/C55H43N/c1-54(2)47-19-11-8-16-41(47)43-29-26-37(33-49(43)54)35-22-24-36(25-23-35)53(39-27-30-44-42-17-9-12-20-48(42)55(3,4)50(44)34-39)38-28-31-52-46(32-38)45-18-10-13-21-51(45)56(52)40-14-6-5-7-15-40/h5-34,53H,1-4H3
• InChIKey: XSMRRHUTJIGFEV-UHFFFAOYSA-N
• XLogP: 14.24
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.96
LogP ≤ 5	14.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(9,9-dimethylfluoren-2-yl)-[4-(9,9-dimethylfluoren-2-yl)phenyl]methyl]-9-phenylcarbazole?

The IUPAC name of 3-[(9,9-dimethylfluoren-2-yl)-[4-(9,9-dimethylfluoren-2-yl)phenyl]methyl]-9-phenylcarbazole (CID 139540569) is 3-[(9,9-dimethylfluoren-2-yl)-[4-(9,9-dimethylfluoren-2-yl)phenyl]methyl]-9-phenylcarbazole.

What is the SMILES notation for 3-[(9,9-dimethylfluoren-2-yl)-[4-(9,9-dimethylfluoren-2-yl)phenyl]methyl]-9-phenylcarbazole?

The canonical SMILES for 3-[(9,9-dimethylfluoren-2-yl)-[4-(9,9-dimethylfluoren-2-yl)phenyl]methyl]-9-phenylcarbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc(C(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc21.

What is the InChIKey of 3-[(9,9-dimethylfluoren-2-yl)-[4-(9,9-dimethylfluoren-2-yl)phenyl]methyl]-9-phenylcarbazole?

The InChIKey is XSMRRHUTJIGFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H43N/c1-54(2)47-19-11-8-16-41(47)43-29-26-37(33-49(43)54)35-22-24-36(25-23-35)53(39-27-30-44-42-17-9-12-20-48(42)55(3,4)50(44)34-39)38-28-31-52-46(32-38)45-18-10-13-21-51(45)56(52)40-14-6-5-7-15-40/h5-34,53H,1-4H3.

What are the key properties of 3-[(9,9-dimethylfluoren-2-yl)-[4-(9,9-dimethylfluoren-2-yl)phenyl]methyl]-9-phenylcarbazole?

3-[(9,9-dimethylfluoren-2-yl)-[4-(9,9-dimethylfluoren-2-yl)phenyl]methyl]-9-phenylcarbazole has a molecular weight of 717.96 g/mol, XLogP of 14.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(9,9-dimethylfluoren-2-yl)-[4-(9,9-dimethylfluoren-2-yl)phenyl]methyl]-9-phenylcarbazole is sourced from PubChem (CID 139540569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).