N-(4-dibenzofuran-4-ylphenyl)-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-amine

C54H43NO — CID 142540810

About N-(4-dibenzofuran-4-ylphenyl)-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-amine

N-(4-dibenzofuran-4-ylphenyl)-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-amine (PubChem CID 142540810) has the molecular formula C54H43NO and a molecular weight of 721.94 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-amine.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-4-ylphenyl)-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-amine
• PubChem CID: 142540810
• Molecular Formula: C54H43NO
• Molecular Weight: 721.94 g/mol
• Exact Mass: 721.33
• IUPAC Name: N-(4-dibenzofuran-4-ylphenyl)-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-amine
• SMILES: C=C/C=C(\C=C)c1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc3c(c2)-c2cc4c(cc2C3(C)C)-c2ccccc2C4(C)C)cc1
• InChI: InChI=1S/C54H43NO/c1-7-14-34(8-2)35-21-25-37(26-22-35)55(38-27-23-36(24-28-38)40-17-13-18-43-42-16-10-12-20-51(42)56-52(40)43)39-29-30-48-44(31-39)46-33-49-45(32-50(46)54(48,5)6)41-15-9-11-19-47(41)53(49,3)4/h7-33H,1-2H2,3-6H3/b34-14+
• InChIKey: JDDOHQVRUNUHIU-HBHSWBPBSA-N
• XLogP: 15.09
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	721.94
LogP ≤ 5	15.09
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-dibenzofuran-4-ylphenyl)-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-amine?

The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-amine (CID 142540810) is N-(4-dibenzofuran-4-ylphenyl)-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-amine.

What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-amine?

The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-amine is C=C/C=C(\C=C)c1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc3c(c2)-c2cc4c(cc2C3(C)C)-c2ccccc2C4(C)C)cc1.

What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-amine?

The InChIKey is JDDOHQVRUNUHIU-HBHSWBPBSA-N. The full InChI is InChI=1S/C54H43NO/c1-7-14-34(8-2)35-21-25-37(26-22-35)55(38-27-23-36(24-28-38)40-17-13-18-43-42-16-10-12-20-51(42)56-52(40)43)39-29-30-48-44(31-39)46-33-49-45(32-50(46)54(48,5)6)41-15-9-11-19-47(41)53(49,3)4/h7-33H,1-2H2,3-6H3/b34-14+.

What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-amine?

N-(4-dibenzofuran-4-ylphenyl)-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-amine has a molecular weight of 721.94 g/mol, XLogP of 15.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-4-ylphenyl)-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-amine is sourced from PubChem (CID 142540810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).