4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-[2-[4-[2-[4-[4-(4,4-diphenylbuta-1,3-dienyl)-N-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,2-diphenylethenyl)aniline

C94H72N2 — CID 76826404

About 4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-[2-[4-[2-[4-[4-(4,4-diphenylbuta-1,3-dienyl)-N-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,2-diphenylethenyl)aniline

4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-[2-[4-[2-[4-[4-(4,4-diphenylbuta-1,3-dienyl)-N-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,2-diphenylethenyl)aniline (PubChem CID 76826404) has the molecular formula C94H72N2 and a molecular weight of 1229.62 g/mol. Its IUPAC name is 4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-[2-[4-[2-[4-[4-(4,4-diphenylbuta-1,3-dienyl)-N-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,2-diphenylethenyl)aniline.

Molecular Properties

• Compound Name: 4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-[2-[4-[2-[4-[4-(4,4-diphenylbuta-1,3-dienyl)-N-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,2-diphenylethenyl)aniline
• PubChem CID: 76826404
• Molecular Formula: C94H72N2
• Molecular Weight: 1229.62 g/mol
• Exact Mass: 1228.57
• IUPAC Name: 4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-[2-[4-[2-[4-[4-(4,4-diphenylbuta-1,3-dienyl)-N-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,2-diphenylethenyl)aniline
• SMILES: C(=Cc1ccc(N(C=C(c2ccccc2)c2ccccc2)c2ccc(C=Cc3ccc(C=Cc4ccc(N(C=C(c5ccccc5)c5ccccc5)c5ccc(C=CC=C(c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1)C=C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C94H72N2/c1-9-29-79(30-10-1)91(80-31-11-2-12-32-80)45-25-27-73-55-63-87(64-56-73)95(71-93(83-37-17-5-18-38-83)84-39-19-6-20-40-84)89-67-59-77(60-68-89)53-51-75-47-49-76(50-48-75)52-54-78-61-69-90(70-62-78)96(72-94(85-41-21-7-22-42-85)86-43-23-8-24-44-86)88-65-57-74(58-66-88)28-26-46-92(81-33-13-3-14-34-81)82-35-15-4-16-36-82/h1-72H
• InChIKey: KNEBPKQUSKYBNO-UHFFFAOYSA-N
• XLogP: 24.77
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 22
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1229.62
LogP ≤ 5	24.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenone(7)', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-[2-[4-[2-[4-[4-(4,4-diphenylbuta-1,3-dienyl)-N-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,2-diphenylethenyl)aniline?

The IUPAC name of 4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-[2-[4-[2-[4-[4-(4,4-diphenylbuta-1,3-dienyl)-N-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,2-diphenylethenyl)aniline (CID 76826404) is 4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-[2-[4-[2-[4-[4-(4,4-diphenylbuta-1,3-dienyl)-N-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,2-diphenylethenyl)aniline.

What is the SMILES notation for 4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-[2-[4-[2-[4-[4-(4,4-diphenylbuta-1,3-dienyl)-N-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,2-diphenylethenyl)aniline?

The canonical SMILES for 4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-[2-[4-[2-[4-[4-(4,4-diphenylbuta-1,3-dienyl)-N-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,2-diphenylethenyl)aniline is C(=Cc1ccc(N(C=C(c2ccccc2)c2ccccc2)c2ccc(C=Cc3ccc(C=Cc4ccc(N(C=C(c5ccccc5)c5ccccc5)c5ccc(C=CC=C(c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1)C=C(c1ccccc1)c1ccccc1.

What is the InChIKey of 4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-[2-[4-[2-[4-[4-(4,4-diphenylbuta-1,3-dienyl)-N-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,2-diphenylethenyl)aniline?

The InChIKey is KNEBPKQUSKYBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H72N2/c1-9-29-79(30-10-1)91(80-31-11-2-12-32-80)45-25-27-73-55-63-87(64-56-73)95(71-93(83-37-17-5-18-38-83)84-39-19-6-20-40-84)89-67-59-77(60-68-89)53-51-75-47-49-76(50-48-75)52-54-78-61-69-90(70-62-78)96(72-94(85-41-21-7-22-42-85)86-43-23-8-24-44-86)88-65-57-74(58-66-88)28-26-46-92(81-33-13-3-14-34-81)82-35-15-4-16-36-82/h1-72H.

What are the key properties of 4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-[2-[4-[2-[4-[4-(4,4-diphenylbuta-1,3-dienyl)-N-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,2-diphenylethenyl)aniline?

4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-[2-[4-[2-[4-[4-(4,4-diphenylbuta-1,3-dienyl)-N-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,2-diphenylethenyl)aniline has a molecular weight of 1229.62 g/mol, XLogP of 24.77, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-[2-[4-[2-[4-[4-(4,4-diphenylbuta-1,3-dienyl)-N-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,2-diphenylethenyl)aniline is sourced from PubChem (CID 76826404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).