7-[(3Z)-3-[(Z)-but-2-enylidene]-2-methylidene-1-benzofuran-7-yl]-N-(3,5-diphenylphenyl)-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-amine

C67H55NO — CID 142541056

About 7-[(3Z)-3-[(Z)-but-2-enylidene]-2-methylidene-1-benzofuran-7-yl]-N-(3,5-diphenylphenyl)-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-amine

7-[(3Z)-3-[(Z)-but-2-enylidene]-2-methylidene-1-benzofuran-7-yl]-N-(3,5-diphenylphenyl)-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-amine (PubChem CID 142541056) has the molecular formula C67H55NO and a molecular weight of 890.18 g/mol. Its IUPAC name is 7-[(3Z)-3-[(Z)-but-2-enylidene]-2-methylidene-1-benzofuran-7-yl]-N-(3,5-diphenylphenyl)-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-amine.

Molecular Properties

• Compound Name: 7-[(3Z)-3-[(Z)-but-2-enylidene]-2-methylidene-1-benzofuran-7-yl]-N-(3,5-diphenylphenyl)-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-amine
• PubChem CID: 142541056
• Molecular Formula: C67H55NO
• Molecular Weight: 890.18 g/mol
• Exact Mass: 889.43
• IUPAC Name: 7-[(3Z)-3-[(Z)-but-2-enylidene]-2-methylidene-1-benzofuran-7-yl]-N-(3,5-diphenylphenyl)-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-amine
• SMILES: C=C/C=C(\C=C)c1ccc(N(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccc3c(c2)C(C)(C)c2cc4c(cc2-3)C(C)(C)c2c-4cccc2-c2cccc3/c(=C/C=C\C)c(=C)oc23)cc1
• InChI: InChI=1S/C67H55NO/c1-9-12-26-53-43(4)69-65-57(53)29-20-30-58(65)55-27-19-28-56-60-42-62-59(41-63(60)67(7,8)64(55)56)54-36-35-51(40-61(54)66(62,5)6)68(50-33-31-47(32-34-50)44(11-3)21-10-2)52-38-48(45-22-15-13-16-23-45)37-49(39-52)46-24-17-14-18-25-46/h9-42H,2-4H2,1,5-8H3/b12-9-,44-21+,53-26+
• InChIKey: ZTLVJKQPCDGNHN-DXTMYQIHSA-N
• XLogP: 17.04
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	890.18
LogP ≤ 5	17.04
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 7-[(3Z)-3-[(Z)-but-2-enylidene]-2-methylidene-1-benzofuran-7-yl]-N-(3,5-diphenylphenyl)-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-amine?

The IUPAC name of 7-[(3Z)-3-[(Z)-but-2-enylidene]-2-methylidene-1-benzofuran-7-yl]-N-(3,5-diphenylphenyl)-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-amine (CID 142541056) is 7-[(3Z)-3-[(Z)-but-2-enylidene]-2-methylidene-1-benzofuran-7-yl]-N-(3,5-diphenylphenyl)-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-amine.

What is the SMILES notation for 7-[(3Z)-3-[(Z)-but-2-enylidene]-2-methylidene-1-benzofuran-7-yl]-N-(3,5-diphenylphenyl)-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-amine?

The canonical SMILES for 7-[(3Z)-3-[(Z)-but-2-enylidene]-2-methylidene-1-benzofuran-7-yl]-N-(3,5-diphenylphenyl)-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-amine is C=C/C=C(\C=C)c1ccc(N(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccc3c(c2)C(C)(C)c2cc4c(cc2-3)C(C)(C)c2c-4cccc2-c2cccc3/c(=C/C=C\C)c(=C)oc23)cc1.

What is the InChIKey of 7-[(3Z)-3-[(Z)-but-2-enylidene]-2-methylidene-1-benzofuran-7-yl]-N-(3,5-diphenylphenyl)-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-amine?

The InChIKey is ZTLVJKQPCDGNHN-DXTMYQIHSA-N. The full InChI is InChI=1S/C67H55NO/c1-9-12-26-53-43(4)69-65-57(53)29-20-30-58(65)55-27-19-28-56-60-42-62-59(41-63(60)67(7,8)64(55)56)54-36-35-51(40-61(54)66(62,5)6)68(50-33-31-47(32-34-50)44(11-3)21-10-2)52-38-48(45-22-15-13-16-23-45)37-49(39-52)46-24-17-14-18-25-46/h9-42H,2-4H2,1,5-8H3/b12-9-,44-21+,53-26+.

What are the key properties of 7-[(3Z)-3-[(Z)-but-2-enylidene]-2-methylidene-1-benzofuran-7-yl]-N-(3,5-diphenylphenyl)-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-amine?

7-[(3Z)-3-[(Z)-but-2-enylidene]-2-methylidene-1-benzofuran-7-yl]-N-(3,5-diphenylphenyl)-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-amine has a molecular weight of 890.18 g/mol, XLogP of 17.04, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3Z)-3-[(Z)-but-2-enylidene]-2-methylidene-1-benzofuran-7-yl]-N-(3,5-diphenylphenyl)-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-amine is sourced from PubChem (CID 142541056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).