N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine

C₅₄H₄₉N — CID 171438963

About N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine

N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine (PubChem CID 171438963) has the molecular formula C₅₄H₄₉N and a molecular weight of 711.99 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
• PubChem CID: 171438963
• Molecular Formula: C₅₄H₄₉N
• Molecular Weight: 711.99 g/mol
• Exact Mass: 711.39
• IUPAC Name: N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2cc(-c3cccc4c3-c3ccc(N(c5ccc(C6CCCCC6)cc5)c5ccccc5-c5ccccc5)cc3C4(C)C)ccc21
• InChI: InChI=1S/C54H49N/c1-53(2)47-23-13-11-21-44(47)46-34-39(28-33-48(46)53)43-22-15-24-49-52(43)45-32-31-41(35-50(45)54(49,3)4)55(40-29-26-37(27-30-40)36-16-7-5-8-17-36)51-25-14-12-20-42(51)38-18-9-6-10-19-38/h6,9-15,18-36H,5,7-8,16-17H2,1-4H3
• InChIKey: DSRUWOUNQJLWQW-UHFFFAOYSA-N
• XLogP: 15.15
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	711.99
LogP ≤ 5	15.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?

The IUPAC name of N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine (CID 171438963) is N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?

The canonical SMILES for N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2cc(-c3cccc4c3-c3ccc(N(c5ccc(C6CCCCC6)cc5)c5ccccc5-c5ccccc5)cc3C4(C)C)ccc21.

What is the InChIKey of N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?

The InChIKey is DSRUWOUNQJLWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H49N/c1-53(2)47-23-13-11-21-44(47)46-34-39(28-33-48(46)53)43-22-15-24-49-52(43)45-32-31-41(35-50(45)54(49,3)4)55(40-29-26-37(27-30-40)36-16-7-5-8-17-36)51-25-14-12-20-42(51)38-18-9-6-10-19-38/h6,9-15,18-36H,5,7-8,16-17H2,1-4H3.

What are the key properties of N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?

N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine has a molecular weight of 711.99 g/mol, XLogP of 15.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 171438963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171438963 — identifiers, structure, computed properties (public domain)

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