N-[4-[(3Z)-4-[1-(5a,9a-dihydrodibenzofuran-4-yl)indol-2-yl]buta-1,3-dien-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C57H44N2O — CID 144554234

About N-[4-[(3Z)-4-[1-(5a,9a-dihydrodibenzofuran-4-yl)indol-2-yl]buta-1,3-dien-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-[(3Z)-4-[1-(5a,9a-dihydrodibenzofuran-4-yl)indol-2-yl]buta-1,3-dien-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 144554234) has the molecular formula C57H44N2O and a molecular weight of 772.99 g/mol. Its IUPAC name is N-[4-[(3Z)-4-[1-(5a,9a-dihydrodibenzofuran-4-yl)indol-2-yl]buta-1,3-dien-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-[(3Z)-4-[1-(5a,9a-dihydrodibenzofuran-4-yl)indol-2-yl]buta-1,3-dien-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 144554234
• Molecular Formula: C57H44N2O
• Molecular Weight: 772.99 g/mol
• Exact Mass: 772.35
• IUPAC Name: N-[4-[(3Z)-4-[1-(5a,9a-dihydrodibenzofuran-4-yl)indol-2-yl]buta-1,3-dien-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: C=C(/C=C\c1cc2ccccc2n1-c1cccc2c1OC1C=CC=CC21)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
• InChI: InChI=1S/C57H44N2O/c1-38(24-29-45-36-42-16-7-11-21-53(42)59(45)54-22-13-19-50-49-18-9-12-23-55(49)60-56(50)54)39-25-30-43(31-26-39)58(44-32-27-41(28-33-44)40-14-5-4-6-15-40)46-34-35-48-47-17-8-10-20-51(47)57(2,3)52(48)37-46/h4-37,49,55H,1H2,2-3H3/b29-24-
• InChIKey: CPMFSQYAPLCARL-OLFWJLLRSA-N
• XLogP: 14.77
• TPSA: 17.40 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	772.99
LogP ≤ 5	14.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3Z)-4-[1-(5a,9a-dihydrodibenzofuran-4-yl)indol-2-yl]buta-1,3-dien-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of N-[4-[(3Z)-4-[1-(5a,9a-dihydrodibenzofuran-4-yl)indol-2-yl]buta-1,3-dien-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 144554234) is N-[4-[(3Z)-4-[1-(5a,9a-dihydrodibenzofuran-4-yl)indol-2-yl]buta-1,3-dien-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for N-[4-[(3Z)-4-[1-(5a,9a-dihydrodibenzofuran-4-yl)indol-2-yl]buta-1,3-dien-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for N-[4-[(3Z)-4-[1-(5a,9a-dihydrodibenzofuran-4-yl)indol-2-yl]buta-1,3-dien-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is C=C(/C=C\c1cc2ccccc2n1-c1cccc2c1OC1C=CC=CC21)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.

What is the InChIKey of N-[4-[(3Z)-4-[1-(5a,9a-dihydrodibenzofuran-4-yl)indol-2-yl]buta-1,3-dien-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is CPMFSQYAPLCARL-OLFWJLLRSA-N. The full InChI is InChI=1S/C57H44N2O/c1-38(24-29-45-36-42-16-7-11-21-53(42)59(45)54-22-13-19-50-49-18-9-12-23-55(49)60-56(50)54)39-25-30-43(31-26-39)58(44-32-27-41(28-33-44)40-14-5-4-6-15-40)46-34-35-48-47-17-8-10-20-51(47)57(2,3)52(48)37-46/h4-37,49,55H,1H2,2-3H3/b29-24-.

What are the key properties of N-[4-[(3Z)-4-[1-(5a,9a-dihydrodibenzofuran-4-yl)indol-2-yl]buta-1,3-dien-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

N-[4-[(3Z)-4-[1-(5a,9a-dihydrodibenzofuran-4-yl)indol-2-yl]buta-1,3-dien-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 772.99 g/mol, XLogP of 14.77, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(3Z)-4-[1-(5a,9a-dihydrodibenzofuran-4-yl)indol-2-yl]buta-1,3-dien-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 144554234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).