9,9-diphenyl-7-(4-phenyl-N-[(3E,5Z)-5-phenylhepta-1,3,5-trien-4-yl]anilino)fluoren-4-ol

C50H39NO — CID 137397204

About 9,9-diphenyl-7-(4-phenyl-N-[(3E,5Z)-5-phenylhepta-1,3,5-trien-4-yl]anilino)fluoren-4-ol

9,9-diphenyl-7-(4-phenyl-N-[(3E,5Z)-5-phenylhepta-1,3,5-trien-4-yl]anilino)fluoren-4-ol (PubChem CID 137397204) has the molecular formula C50H39NO and a molecular weight of 669.87 g/mol. Its IUPAC name is 9,9-diphenyl-7-(4-phenyl-N-[(3E,5Z)-5-phenylhepta-1,3,5-trien-4-yl]anilino)fluoren-4-ol.

Molecular Properties

• Compound Name: 9,9-diphenyl-7-(4-phenyl-N-[(3E,5Z)-5-phenylhepta-1,3,5-trien-4-yl]anilino)fluoren-4-ol
• PubChem CID: 137397204
• Molecular Formula: C50H39NO
• Molecular Weight: 669.87 g/mol
• Exact Mass: 669.30
• IUPAC Name: 9,9-diphenyl-7-(4-phenyl-N-[(3E,5Z)-5-phenylhepta-1,3,5-trien-4-yl]anilino)fluoren-4-ol
• SMILES: C=C/C=C(C(=C/C)\c1ccccc1)/N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cccc(O)c1-2
• InChI: InChI=1S/C50H39NO/c1-3-18-47(43(4-2)38-21-11-6-12-22-38)51(41-31-29-37(30-32-41)36-19-9-5-10-20-36)42-33-34-44-46(35-42)50(39-23-13-7-14-24-39,40-25-15-8-16-26-40)45-27-17-28-48(52)49(44)45/h3-35,52H,1H2,2H3/b43-4-,47-18+
• InChIKey: WSDSSYZXETXHTN-LANJBNLTSA-N
• XLogP: 12.73
• TPSA: 23.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	669.87
LogP ≤ 5	12.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-7-(4-phenyl-N-[(3E,5Z)-5-phenylhepta-1,3,5-trien-4-yl]anilino)fluoren-4-ol?

The IUPAC name of 9,9-diphenyl-7-(4-phenyl-N-[(3E,5Z)-5-phenylhepta-1,3,5-trien-4-yl]anilino)fluoren-4-ol (CID 137397204) is 9,9-diphenyl-7-(4-phenyl-N-[(3E,5Z)-5-phenylhepta-1,3,5-trien-4-yl]anilino)fluoren-4-ol.

What is the SMILES notation for 9,9-diphenyl-7-(4-phenyl-N-[(3E,5Z)-5-phenylhepta-1,3,5-trien-4-yl]anilino)fluoren-4-ol?

The canonical SMILES for 9,9-diphenyl-7-(4-phenyl-N-[(3E,5Z)-5-phenylhepta-1,3,5-trien-4-yl]anilino)fluoren-4-ol is C=C/C=C(C(=C/C)\c1ccccc1)/N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cccc(O)c1-2.

What is the InChIKey of 9,9-diphenyl-7-(4-phenyl-N-[(3E,5Z)-5-phenylhepta-1,3,5-trien-4-yl]anilino)fluoren-4-ol?

The InChIKey is WSDSSYZXETXHTN-LANJBNLTSA-N. The full InChI is InChI=1S/C50H39NO/c1-3-18-47(43(4-2)38-21-11-6-12-22-38)51(41-31-29-37(30-32-41)36-19-9-5-10-20-36)42-33-34-44-46(35-42)50(39-23-13-7-14-24-39,40-25-15-8-16-26-40)45-27-17-28-48(52)49(44)45/h3-35,52H,1H2,2H3/b43-4-,47-18+.

What are the key properties of 9,9-diphenyl-7-(4-phenyl-N-[(3E,5Z)-5-phenylhepta-1,3,5-trien-4-yl]anilino)fluoren-4-ol?

9,9-diphenyl-7-(4-phenyl-N-[(3E,5Z)-5-phenylhepta-1,3,5-trien-4-yl]anilino)fluoren-4-ol has a molecular weight of 669.87 g/mol, XLogP of 12.73, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-diphenyl-7-(4-phenyl-N-[(3E,5Z)-5-phenylhepta-1,3,5-trien-4-yl]anilino)fluoren-4-ol is sourced from PubChem (CID 137397204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).