N-(4-dibenzofuran-3-ylphenyl)-N-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-6,6,12,12-tetramethyl-7,10-diphenylindeno[1,2-b]fluoren-2-amine

C67H53NO — CID 142541032

About N-(4-dibenzofuran-3-ylphenyl)-N-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-6,6,12,12-tetramethyl-7,10-diphenylindeno[1,2-b]fluoren-2-amine

N-(4-dibenzofuran-3-ylphenyl)-N-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-6,6,12,12-tetramethyl-7,10-diphenylindeno[1,2-b]fluoren-2-amine (PubChem CID 142541032) has the molecular formula C67H53NO and a molecular weight of 888.17 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-N-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-6,6,12,12-tetramethyl-7,10-diphenylindeno[1,2-b]fluoren-2-amine.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-3-ylphenyl)-N-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-6,6,12,12-tetramethyl-7,10-diphenylindeno[1,2-b]fluoren-2-amine
• PubChem CID: 142541032
• Molecular Formula: C67H53NO
• Molecular Weight: 888.17 g/mol
• Exact Mass: 887.41
• IUPAC Name: N-(4-dibenzofuran-3-ylphenyl)-N-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-6,6,12,12-tetramethyl-7,10-diphenylindeno[1,2-b]fluoren-2-amine
• SMILES: C=C(/C=C\C=C/C)c1ccc(N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2ccc3c(c2)C(C)(C)c2cc4c(cc2-3)C(C)(C)c2c(-c3ccccc3)ccc(-c3ccccc3)c2-4)cc1
• InChI: InChI=1S/C67H53NO/c1-7-8-11-18-43(2)44-25-30-49(31-26-44)68(50-32-27-45(28-33-50)48-29-35-56-55-23-16-17-24-62(55)69-63(56)39-48)51-34-36-54-57-41-61-58(42-60(57)66(3,4)59(54)40-51)64-52(46-19-12-9-13-20-46)37-38-53(65(64)67(61,5)6)47-21-14-10-15-22-47/h7-42H,2H2,1,3-6H3/b8-7-,18-11-
• InChIKey: TYGZCYJWIKGWFR-FKCKPFQOSA-N
• XLogP: 18.81
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	888.17
LogP ≤ 5	18.81
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-3-ylphenyl)-N-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-6,6,12,12-tetramethyl-7,10-diphenylindeno[1,2-b]fluoren-2-amine?

The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-6,6,12,12-tetramethyl-7,10-diphenylindeno[1,2-b]fluoren-2-amine (CID 142541032) is N-(4-dibenzofuran-3-ylphenyl)-N-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-6,6,12,12-tetramethyl-7,10-diphenylindeno[1,2-b]fluoren-2-amine.

What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-N-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-6,6,12,12-tetramethyl-7,10-diphenylindeno[1,2-b]fluoren-2-amine?

The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-N-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-6,6,12,12-tetramethyl-7,10-diphenylindeno[1,2-b]fluoren-2-amine is C=C(/C=C\C=C/C)c1ccc(N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2ccc3c(c2)C(C)(C)c2cc4c(cc2-3)C(C)(C)c2c(-c3ccccc3)ccc(-c3ccccc3)c2-4)cc1.

What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-N-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-6,6,12,12-tetramethyl-7,10-diphenylindeno[1,2-b]fluoren-2-amine?

The InChIKey is TYGZCYJWIKGWFR-FKCKPFQOSA-N. The full InChI is InChI=1S/C67H53NO/c1-7-8-11-18-43(2)44-25-30-49(31-26-44)68(50-32-27-45(28-33-50)48-29-35-56-55-23-16-17-24-62(55)69-63(56)39-48)51-34-36-54-57-41-61-58(42-60(57)66(3,4)59(54)40-51)64-52(46-19-12-9-13-20-46)37-38-53(65(64)67(61,5)6)47-21-14-10-15-22-47/h7-42H,2H2,1,3-6H3/b8-7-,18-11-.

What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-N-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-6,6,12,12-tetramethyl-7,10-diphenylindeno[1,2-b]fluoren-2-amine?

N-(4-dibenzofuran-3-ylphenyl)-N-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-6,6,12,12-tetramethyl-7,10-diphenylindeno[1,2-b]fluoren-2-amine has a molecular weight of 888.17 g/mol, XLogP of 18.81, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-3-ylphenyl)-N-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-6,6,12,12-tetramethyl-7,10-diphenylindeno[1,2-b]fluoren-2-amine is sourced from PubChem (CID 142541032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).