4-methyl-N-[4-[3-methyl-1-[4-[2-[4-(4-methyl-N-[4-(5-methyl-1-phenyldeca-1,3-dien-5-yl)phenyl]anilino)phenyl]ethenyl]phenyl]non-1-en-3-yl]phenyl]-N-[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline

C83H86N2 — CID 89345012

About 4-methyl-N-[4-[3-methyl-1-[4-[2-[4-(4-methyl-N-[4-(5-methyl-1-phenyldeca-1,3-dien-5-yl)phenyl]anilino)phenyl]ethenyl]phenyl]non-1-en-3-yl]phenyl]-N-[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline

4-methyl-N-[4-[3-methyl-1-[4-[2-[4-(4-methyl-N-[4-(5-methyl-1-phenyldeca-1,3-dien-5-yl)phenyl]anilino)phenyl]ethenyl]phenyl]non-1-en-3-yl]phenyl]-N-[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline (PubChem CID 89345012) has the molecular formula C83H86N2 and a molecular weight of 1111.62 g/mol. Its IUPAC name is 4-methyl-N-[4-[3-methyl-1-[4-[2-[4-(4-methyl-N-[4-(5-methyl-1-phenyldeca-1,3-dien-5-yl)phenyl]anilino)phenyl]ethenyl]phenyl]non-1-en-3-yl]phenyl]-N-[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline.

Molecular Properties

• Compound Name: 4-methyl-N-[4-[3-methyl-1-[4-[2-[4-(4-methyl-N-[4-(5-methyl-1-phenyldeca-1,3-dien-5-yl)phenyl]anilino)phenyl]ethenyl]phenyl]non-1-en-3-yl]phenyl]-N-[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline
• PubChem CID: 89345012
• Molecular Formula: C83H86N2
• Molecular Weight: 1111.62 g/mol
• Exact Mass: 1110.68
• IUPAC Name: 4-methyl-N-[4-[3-methyl-1-[4-[2-[4-(4-methyl-N-[4-(5-methyl-1-phenyldeca-1,3-dien-5-yl)phenyl]anilino)phenyl]ethenyl]phenyl]non-1-en-3-yl]phenyl]-N-[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline
• SMILES: CCCCCCC(C)(C=Cc1ccc(C=Cc2ccc(N(c3ccc(C)cc3)c3ccc(C(C)(C=CC=Cc4ccccc4)CCCCC)cc3)cc2)cc1)c1ccc(N(c2ccc(C)cc2)c2ccc(C=CC=Cc3ccccc3)cc2)cc1
• InChI: InChI=1S/C83H86N2/c1-7-9-11-22-63-83(6,75-47-59-81(60-48-75)84(76-49-31-66(3)32-50-76)78-53-41-70(42-54-78)29-19-18-28-68-24-14-12-15-25-68)65-61-73-39-37-71(38-40-73)35-36-72-43-55-79(56-44-72)85(77-51-33-67(4)34-52-77)80-57-45-74(46-58-80)82(5,62-21-10-8-2)64-23-20-30-69-26-16-13-17-27-69/h12-20,23-61,64-65H,7-11,21-22,62-63H2,1-6H3
• InChIKey: JSBJDLOWZCKWLN-UHFFFAOYSA-N
• XLogP: 24.19
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 27
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1111.62
LogP ≤ 5	24.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', '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-methyl-N-[4-[3-methyl-1-[4-[2-[4-(4-methyl-N-[4-(5-methyl-1-phenyldeca-1,3-dien-5-yl)phenyl]anilino)phenyl]ethenyl]phenyl]non-1-en-3-yl]phenyl]-N-[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline?

The IUPAC name of 4-methyl-N-[4-[3-methyl-1-[4-[2-[4-(4-methyl-N-[4-(5-methyl-1-phenyldeca-1,3-dien-5-yl)phenyl]anilino)phenyl]ethenyl]phenyl]non-1-en-3-yl]phenyl]-N-[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline (CID 89345012) is 4-methyl-N-[4-[3-methyl-1-[4-[2-[4-(4-methyl-N-[4-(5-methyl-1-phenyldeca-1,3-dien-5-yl)phenyl]anilino)phenyl]ethenyl]phenyl]non-1-en-3-yl]phenyl]-N-[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline.

What is the SMILES notation for 4-methyl-N-[4-[3-methyl-1-[4-[2-[4-(4-methyl-N-[4-(5-methyl-1-phenyldeca-1,3-dien-5-yl)phenyl]anilino)phenyl]ethenyl]phenyl]non-1-en-3-yl]phenyl]-N-[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline?

The canonical SMILES for 4-methyl-N-[4-[3-methyl-1-[4-[2-[4-(4-methyl-N-[4-(5-methyl-1-phenyldeca-1,3-dien-5-yl)phenyl]anilino)phenyl]ethenyl]phenyl]non-1-en-3-yl]phenyl]-N-[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline is CCCCCCC(C)(C=Cc1ccc(C=Cc2ccc(N(c3ccc(C)cc3)c3ccc(C(C)(C=CC=Cc4ccccc4)CCCCC)cc3)cc2)cc1)c1ccc(N(c2ccc(C)cc2)c2ccc(C=CC=Cc3ccccc3)cc2)cc1.

What is the InChIKey of 4-methyl-N-[4-[3-methyl-1-[4-[2-[4-(4-methyl-N-[4-(5-methyl-1-phenyldeca-1,3-dien-5-yl)phenyl]anilino)phenyl]ethenyl]phenyl]non-1-en-3-yl]phenyl]-N-[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline?

The InChIKey is JSBJDLOWZCKWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H86N2/c1-7-9-11-22-63-83(6,75-47-59-81(60-48-75)84(76-49-31-66(3)32-50-76)78-53-41-70(42-54-78)29-19-18-28-68-24-14-12-15-25-68)65-61-73-39-37-71(38-40-73)35-36-72-43-55-79(56-44-72)85(77-51-33-67(4)34-52-77)80-57-45-74(46-58-80)82(5,62-21-10-8-2)64-23-20-30-69-26-16-13-17-27-69/h12-20,23-61,64-65H,7-11,21-22,62-63H2,1-6H3.

What are the key properties of 4-methyl-N-[4-[3-methyl-1-[4-[2-[4-(4-methyl-N-[4-(5-methyl-1-phenyldeca-1,3-dien-5-yl)phenyl]anilino)phenyl]ethenyl]phenyl]non-1-en-3-yl]phenyl]-N-[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline?

4-methyl-N-[4-[3-methyl-1-[4-[2-[4-(4-methyl-N-[4-(5-methyl-1-phenyldeca-1,3-dien-5-yl)phenyl]anilino)phenyl]ethenyl]phenyl]non-1-en-3-yl]phenyl]-N-[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline has a molecular weight of 1111.62 g/mol, XLogP of 24.19, 27 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[4-[3-methyl-1-[4-[2-[4-(4-methyl-N-[4-(5-methyl-1-phenyldeca-1,3-dien-5-yl)phenyl]anilino)phenyl]ethenyl]phenyl]non-1-en-3-yl]phenyl]-N-[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline is sourced from PubChem (CID 89345012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).