9,9-dimethyl-N-[(3Z,5E)-octa-1,3,5,7-tetraen-3-yl]-N-(2-phenylphenyl)fluoren-3-amine

C35H31N — CID 146644000

About 9,9-dimethyl-N-[(3Z,5E)-octa-1,3,5,7-tetraen-3-yl]-N-(2-phenylphenyl)fluoren-3-amine

9,9-dimethyl-N-[(3Z,5E)-octa-1,3,5,7-tetraen-3-yl]-N-(2-phenylphenyl)fluoren-3-amine (PubChem CID 146644000) has the molecular formula C35H31N and a molecular weight of 465.64 g/mol. Its IUPAC name is 9,9-dimethyl-N-[(3Z,5E)-octa-1,3,5,7-tetraen-3-yl]-N-(2-phenylphenyl)fluoren-3-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-[(3Z,5E)-octa-1,3,5,7-tetraen-3-yl]-N-(2-phenylphenyl)fluoren-3-amine
• PubChem CID: 146644000
• Molecular Formula: C35H31N
• Molecular Weight: 465.64 g/mol
• Exact Mass: 465.25
• IUPAC Name: 9,9-dimethyl-N-[(3Z,5E)-octa-1,3,5,7-tetraen-3-yl]-N-(2-phenylphenyl)fluoren-3-amine
• SMILES: C=C/C=C/C=C(/C=C)N(c1ccc2c(c1)-c1ccccc1C2(C)C)c1ccccc1-c1ccccc1
• InChI: InChI=1S/C35H31N/c1-5-7-9-18-27(6-2)36(34-22-15-13-19-29(34)26-16-10-8-11-17-26)28-23-24-33-31(25-28)30-20-12-14-21-32(30)35(33,3)4/h5-25H,1-2H2,3-4H3/b9-7+,27-18-
• InChIKey: XINFTCIUSYCJAO-MDDLKKHHSA-N
• XLogP: 9.61
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.64
LogP ≤ 5	9.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[(3Z,5E)-octa-1,3,5,7-tetraen-3-yl]-N-(2-phenylphenyl)fluoren-3-amine?

The IUPAC name of 9,9-dimethyl-N-[(3Z,5E)-octa-1,3,5,7-tetraen-3-yl]-N-(2-phenylphenyl)fluoren-3-amine (CID 146644000) is 9,9-dimethyl-N-[(3Z,5E)-octa-1,3,5,7-tetraen-3-yl]-N-(2-phenylphenyl)fluoren-3-amine.

What is the SMILES notation for 9,9-dimethyl-N-[(3Z,5E)-octa-1,3,5,7-tetraen-3-yl]-N-(2-phenylphenyl)fluoren-3-amine?

The canonical SMILES for 9,9-dimethyl-N-[(3Z,5E)-octa-1,3,5,7-tetraen-3-yl]-N-(2-phenylphenyl)fluoren-3-amine is C=C/C=C/C=C(/C=C)N(c1ccc2c(c1)-c1ccccc1C2(C)C)c1ccccc1-c1ccccc1.

What is the InChIKey of 9,9-dimethyl-N-[(3Z,5E)-octa-1,3,5,7-tetraen-3-yl]-N-(2-phenylphenyl)fluoren-3-amine?

The InChIKey is XINFTCIUSYCJAO-MDDLKKHHSA-N. The full InChI is InChI=1S/C35H31N/c1-5-7-9-18-27(6-2)36(34-22-15-13-19-29(34)26-16-10-8-11-17-26)28-23-24-33-31(25-28)30-20-12-14-21-32(30)35(33,3)4/h5-25H,1-2H2,3-4H3/b9-7+,27-18-.

What are the key properties of 9,9-dimethyl-N-[(3Z,5E)-octa-1,3,5,7-tetraen-3-yl]-N-(2-phenylphenyl)fluoren-3-amine?

9,9-dimethyl-N-[(3Z,5E)-octa-1,3,5,7-tetraen-3-yl]-N-(2-phenylphenyl)fluoren-3-amine has a molecular weight of 465.64 g/mol, XLogP of 9.61, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-[(3Z,5E)-octa-1,3,5,7-tetraen-3-yl]-N-(2-phenylphenyl)fluoren-3-amine is sourced from PubChem (CID 146644000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).