2-bromo-9,9-dimethylfluorene;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-(2-methylphenyl)-4-(4-phenylphenyl)phenyl]fluoren-2-amine;2-methyl-6-phenyl-4-(4-phenylphenyl)aniline

C96H81BrN2 — CID 160708595

About 2-bromo-9,9-dimethylfluorene;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-(2-methylphenyl)-4-(4-phenylphenyl)phenyl]fluoren-2-amine;2-methyl-6-phenyl-4-(4-phenylphenyl)aniline

2-bromo-9,9-dimethylfluorene;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-(2-methylphenyl)-4-(4-phenylphenyl)phenyl]fluoren-2-amine;2-methyl-6-phenyl-4-(4-phenylphenyl)aniline (PubChem CID 160708595) has the molecular formula C96H81BrN2 and a molecular weight of 1342.62 g/mol. Its IUPAC name is 2-bromo-9,9-dimethylfluorene;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-(2-methylphenyl)-4-(4-phenylphenyl)phenyl]fluoren-2-amine;2-methyl-6-phenyl-4-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: 2-bromo-9,9-dimethylfluorene;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-(2-methylphenyl)-4-(4-phenylphenyl)phenyl]fluoren-2-amine;2-methyl-6-phenyl-4-(4-phenylphenyl)aniline
• PubChem CID: 160708595
• Molecular Formula: C96H81BrN2
• Molecular Weight: 1342.62 g/mol
• Exact Mass: 1340.56
• IUPAC Name: 2-bromo-9,9-dimethylfluorene;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-(2-methylphenyl)-4-(4-phenylphenyl)phenyl]fluoren-2-amine;2-methyl-6-phenyl-4-(4-phenylphenyl)aniline
• SMILES: CC1(C)c2ccccc2-c2ccc(Br)cc21.Cc1cc(-c2ccc(-c3ccccc3)cc2)cc(-c2ccccc2)c1N.Cc1ccccc1-c1cc(-c2ccc(-c3ccccc3)cc2)cc(C)c1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)C(C)(C)c1ccccc1-2
• InChI: InChI=1S/C56H47N.C25H21N.C15H13Br/c1-36-16-10-11-19-44(36)49-33-41(40-26-24-39(25-27-40)38-17-8-7-9-18-38)32-37(2)54(49)57(42-28-30-47-45-20-12-14-22-50(45)55(3,4)52(47)34-42)43-29-31-48-46-21-13-15-23-51(46)56(5,6)53(48)35-43;1-18-16-23(17-24(25(18)26)22-10-6-3-7-11-22)21-14-12-20(13-15-21)19-8-4-2-5-9-19;1-15(2)13-6-4-3-5-11(13)12-8-7-10(16)9-14(12)15/h7-35H,1-6H3;2-17H,26H2,1H3;3-9H,1-2H3
• InChIKey: RRNZYINWICEUNS-UHFFFAOYSA-N
• XLogP: 26.72
• TPSA: 29.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1342.62
LogP ≤ 5	26.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9,9-dimethylfluorene;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-(2-methylphenyl)-4-(4-phenylphenyl)phenyl]fluoren-2-amine;2-methyl-6-phenyl-4-(4-phenylphenyl)aniline?

The IUPAC name of 2-bromo-9,9-dimethylfluorene;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-(2-methylphenyl)-4-(4-phenylphenyl)phenyl]fluoren-2-amine;2-methyl-6-phenyl-4-(4-phenylphenyl)aniline (CID 160708595) is 2-bromo-9,9-dimethylfluorene;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-(2-methylphenyl)-4-(4-phenylphenyl)phenyl]fluoren-2-amine;2-methyl-6-phenyl-4-(4-phenylphenyl)aniline.

What is the SMILES notation for 2-bromo-9,9-dimethylfluorene;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-(2-methylphenyl)-4-(4-phenylphenyl)phenyl]fluoren-2-amine;2-methyl-6-phenyl-4-(4-phenylphenyl)aniline?

The canonical SMILES for 2-bromo-9,9-dimethylfluorene;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-(2-methylphenyl)-4-(4-phenylphenyl)phenyl]fluoren-2-amine;2-methyl-6-phenyl-4-(4-phenylphenyl)aniline is CC1(C)c2ccccc2-c2ccc(Br)cc21.Cc1cc(-c2ccc(-c3ccccc3)cc2)cc(-c2ccccc2)c1N.Cc1ccccc1-c1cc(-c2ccc(-c3ccccc3)cc2)cc(C)c1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)C(C)(C)c1ccccc1-2.

What is the InChIKey of 2-bromo-9,9-dimethylfluorene;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-(2-methylphenyl)-4-(4-phenylphenyl)phenyl]fluoren-2-amine;2-methyl-6-phenyl-4-(4-phenylphenyl)aniline?

The InChIKey is RRNZYINWICEUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H47N.C25H21N.C15H13Br/c1-36-16-10-11-19-44(36)49-33-41(40-26-24-39(25-27-40)38-17-8-7-9-18-38)32-37(2)54(49)57(42-28-30-47-45-20-12-14-22-50(45)55(3,4)52(47)34-42)43-29-31-48-46-21-13-15-23-51(46)56(5,6)53(48)35-43;1-18-16-23(17-24(25(18)26)22-10-6-3-7-11-22)21-14-12-20(13-15-21)19-8-4-2-5-9-19;1-15(2)13-6-4-3-5-11(13)12-8-7-10(16)9-14(12)15/h7-35H,1-6H3;2-17H,26H2,1H3;3-9H,1-2H3.

What are the key properties of 2-bromo-9,9-dimethylfluorene;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-(2-methylphenyl)-4-(4-phenylphenyl)phenyl]fluoren-2-amine;2-methyl-6-phenyl-4-(4-phenylphenyl)aniline?

2-bromo-9,9-dimethylfluorene;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-(2-methylphenyl)-4-(4-phenylphenyl)phenyl]fluoren-2-amine;2-methyl-6-phenyl-4-(4-phenylphenyl)aniline has a molecular weight of 1342.62 g/mol, XLogP of 26.72, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-9,9-dimethylfluorene;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-(2-methylphenyl)-4-(4-phenylphenyl)phenyl]fluoren-2-amine;2-methyl-6-phenyl-4-(4-phenylphenyl)aniline is sourced from PubChem (CID 160708595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).