N-[4-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-methoxyphenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine

C57H45NO — CID 145077386

About N-[4-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-methoxyphenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-methoxyphenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 145077386) has the molecular formula C57H45NO and a molecular weight of 759.99 g/mol. Its IUPAC name is N-[4-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-methoxyphenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-methoxyphenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 145077386
• Molecular Formula: C57H45NO
• Molecular Weight: 759.99 g/mol
• Exact Mass: 759.35
• IUPAC Name: N-[4-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-methoxyphenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: C=C/C=C(\C=C/C)c1cc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)ccc1OC
• InChI: InChI=1S/C57H45NO/c1-4-17-44(18-5-2)53-39-45(31-38-56(53)59-3)43-29-34-49(35-30-43)58(48-32-27-42(28-33-48)41-19-9-6-10-20-41)50-36-37-52-51-25-15-16-26-54(51)57(55(52)40-50,46-21-11-7-12-22-46)47-23-13-8-14-24-47/h4-40H,1H2,2-3H3/b18-5-,44-17+
• InChIKey: UXSRHUYDIUOEIX-DPUPILMJSA-N
• XLogP: 15.01
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	759.99
LogP ≤ 5	15.01
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 N-[4-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-methoxyphenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of N-[4-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-methoxyphenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine (CID 145077386) is N-[4-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-methoxyphenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine.

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

The canonical SMILES for N-[4-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-methoxyphenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine is C=C/C=C(\C=C/C)c1cc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)ccc1OC.

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

The InChIKey is UXSRHUYDIUOEIX-DPUPILMJSA-N. The full InChI is InChI=1S/C57H45NO/c1-4-17-44(18-5-2)53-39-45(31-38-56(53)59-3)43-29-34-49(35-30-43)58(48-32-27-42(28-33-48)41-19-9-6-10-20-41)50-36-37-52-51-25-15-16-26-54(51)57(55(52)40-50,46-21-11-7-12-22-46)47-23-13-8-14-24-47/h4-40H,1H2,2-3H3/b18-5-,44-17+.

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

N-[4-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-methoxyphenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 759.99 g/mol, XLogP of 15.01, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-methoxyphenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 145077386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).