9-cyclohexa-2,4-dien-1-yl-N-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]-9-phenyl-N-[3-phenyl-4-(3-phenylphenyl)phenyl]fluoren-2-amine

C61H49N — CID 134194356

About 9-cyclohexa-2,4-dien-1-yl-N-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]-9-phenyl-N-[3-phenyl-4-(3-phenylphenyl)phenyl]fluoren-2-amine

9-cyclohexa-2,4-dien-1-yl-N-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]-9-phenyl-N-[3-phenyl-4-(3-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 134194356) has the molecular formula C61H49N and a molecular weight of 796.07 g/mol. Its IUPAC name is 9-cyclohexa-2,4-dien-1-yl-N-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]-9-phenyl-N-[3-phenyl-4-(3-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9-cyclohexa-2,4-dien-1-yl-N-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]-9-phenyl-N-[3-phenyl-4-(3-phenylphenyl)phenyl]fluoren-2-amine
• PubChem CID: 134194356
• Molecular Formula: C61H49N
• Molecular Weight: 796.07 g/mol
• Exact Mass: 795.39
• IUPAC Name: 9-cyclohexa-2,4-dien-1-yl-N-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]-9-phenyl-N-[3-phenyl-4-(3-phenylphenyl)phenyl]fluoren-2-amine
• SMILES: C=C/C=C\C(=C)C(=C)/C=C\C(=C)N(c1ccc(-c2cccc(-c3ccccc3)c2)c(-c2ccccc2)c1)c1ccc2c(c1)C(c1ccccc1)(C1C=CC=CC1)c1ccccc1-2
• InChI: InChI=1S/C61H49N/c1-5-6-22-44(2)45(3)35-36-46(4)62(53-37-39-55(58(42-53)48-25-13-8-14-26-48)50-28-21-27-49(41-50)47-23-11-7-12-24-47)54-38-40-57-56-33-19-20-34-59(56)61(60(57)43-54,51-29-15-9-16-30-51)52-31-17-10-18-32-52/h5-31,33-43,52H,1-4,32H2/b22-6-,36-35-
• InChIKey: ZXNVJXMYJYUUBB-DBOSSGMOSA-N
• XLogP: 16.20
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 13
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	796.07
LogP ≤ 5	16.20
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-cyclohexa-2,4-dien-1-yl-N-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]-9-phenyl-N-[3-phenyl-4-(3-phenylphenyl)phenyl]fluoren-2-amine?

The IUPAC name of 9-cyclohexa-2,4-dien-1-yl-N-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]-9-phenyl-N-[3-phenyl-4-(3-phenylphenyl)phenyl]fluoren-2-amine (CID 134194356) is 9-cyclohexa-2,4-dien-1-yl-N-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]-9-phenyl-N-[3-phenyl-4-(3-phenylphenyl)phenyl]fluoren-2-amine.

What is the SMILES notation for 9-cyclohexa-2,4-dien-1-yl-N-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]-9-phenyl-N-[3-phenyl-4-(3-phenylphenyl)phenyl]fluoren-2-amine?

The canonical SMILES for 9-cyclohexa-2,4-dien-1-yl-N-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]-9-phenyl-N-[3-phenyl-4-(3-phenylphenyl)phenyl]fluoren-2-amine is C=C/C=C\C(=C)C(=C)/C=C\C(=C)N(c1ccc(-c2cccc(-c3ccccc3)c2)c(-c2ccccc2)c1)c1ccc2c(c1)C(c1ccccc1)(C1C=CC=CC1)c1ccccc1-2.

What is the InChIKey of 9-cyclohexa-2,4-dien-1-yl-N-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]-9-phenyl-N-[3-phenyl-4-(3-phenylphenyl)phenyl]fluoren-2-amine?

The InChIKey is ZXNVJXMYJYUUBB-DBOSSGMOSA-N. The full InChI is InChI=1S/C61H49N/c1-5-6-22-44(2)45(3)35-36-46(4)62(53-37-39-55(58(42-53)48-25-13-8-14-26-48)50-28-21-27-49(41-50)47-23-11-7-12-24-47)54-38-40-57-56-33-19-20-34-59(56)61(60(57)43-54,51-29-15-9-16-30-51)52-31-17-10-18-32-52/h5-31,33-43,52H,1-4,32H2/b22-6-,36-35-.

What are the key properties of 9-cyclohexa-2,4-dien-1-yl-N-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]-9-phenyl-N-[3-phenyl-4-(3-phenylphenyl)phenyl]fluoren-2-amine?

9-cyclohexa-2,4-dien-1-yl-N-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]-9-phenyl-N-[3-phenyl-4-(3-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 796.07 g/mol, XLogP of 16.20, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9-cyclohexa-2,4-dien-1-yl-N-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]-9-phenyl-N-[3-phenyl-4-(3-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 134194356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).