9-cyclohexa-2,4-dien-1-yl-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine

C56H46N2 — CID 146670239

About 9-cyclohexa-2,4-dien-1-yl-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine

9-cyclohexa-2,4-dien-1-yl-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine (PubChem CID 146670239) has the molecular formula C56H46N2 and a molecular weight of 747.00 g/mol. Its IUPAC name is 9-cyclohexa-2,4-dien-1-yl-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9-cyclohexa-2,4-dien-1-yl-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
• PubChem CID: 146670239
• Molecular Formula: C56H46N2
• Molecular Weight: 747.00 g/mol
• Exact Mass: 746.37
• IUPAC Name: 9-cyclohexa-2,4-dien-1-yl-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
• SMILES: C=C/C(=C\C=C/C)C1(C2C=CC=CC2)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(C4C=Cc5c(c6ccccc6n5-c5ccccc5)C4)cc3)cc21
• InChI: InChI=1S/C56H46N2/c1-3-5-19-42(4-2)56(43-20-9-6-10-21-43)52-28-17-15-26-48(52)49-36-35-47(39-53(49)56)57(44-22-11-7-12-23-44)46-33-30-40(31-34-46)41-32-37-55-51(38-41)50-27-16-18-29-54(50)58(55)45-24-13-8-14-25-45/h3-20,22-37,39,41,43H,2,21,38H2,1H3/b5-3-,42-19+
• InChIKey: UDXKSWZGGPMLQS-REJOCRSJSA-N
• XLogP: 14.54
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	747.00
LogP ≤ 5	14.54
H-Bond Donors ≤ 5	0
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-cyclohexa-2,4-dien-1-yl-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine?

The IUPAC name of 9-cyclohexa-2,4-dien-1-yl-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine (CID 146670239) is 9-cyclohexa-2,4-dien-1-yl-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine.

What is the SMILES notation for 9-cyclohexa-2,4-dien-1-yl-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine?

The canonical SMILES for 9-cyclohexa-2,4-dien-1-yl-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine is C=C/C(=C\C=C/C)C1(C2C=CC=CC2)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(C4C=Cc5c(c6ccccc6n5-c5ccccc5)C4)cc3)cc21.

What is the InChIKey of 9-cyclohexa-2,4-dien-1-yl-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine?

The InChIKey is UDXKSWZGGPMLQS-REJOCRSJSA-N. The full InChI is InChI=1S/C56H46N2/c1-3-5-19-42(4-2)56(43-20-9-6-10-21-43)52-28-17-15-26-48(52)49-36-35-47(39-53(49)56)57(44-22-11-7-12-23-44)46-33-30-40(31-34-46)41-32-37-55-51(38-41)50-27-16-18-29-54(50)58(55)45-24-13-8-14-25-45/h3-20,22-37,39,41,43H,2,21,38H2,1H3/b5-3-,42-19+.

What are the key properties of 9-cyclohexa-2,4-dien-1-yl-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine?

9-cyclohexa-2,4-dien-1-yl-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine has a molecular weight of 747.00 g/mol, XLogP of 14.54, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-cyclohexa-2,4-dien-1-yl-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 146670239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).