2-methyl-N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N-(4-methylphenyl)naphthalen-1-amine

C50H48N2 — CID 155108262

About 2-methyl-N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N-(4-methylphenyl)naphthalen-1-amine

2-methyl-N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N-(4-methylphenyl)naphthalen-1-amine (PubChem CID 155108262) has the molecular formula C50H48N2 and a molecular weight of 676.95 g/mol. Its IUPAC name is 2-methyl-N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N-(4-methylphenyl)naphthalen-1-amine.

Molecular Properties

• Compound Name: 2-methyl-N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N-(4-methylphenyl)naphthalen-1-amine
• PubChem CID: 155108262
• Molecular Formula: C50H48N2
• Molecular Weight: 676.95 g/mol
• Exact Mass: 676.38
• IUPAC Name: 2-methyl-N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N-(4-methylphenyl)naphthalen-1-amine
• SMILES: C/C=C(C)\C=C/CN(c1ccc(C)cc1)c1c(C)cc(-c2cc(C)c(N(c3ccc(C)cc3)c3ccc(C)cc3)c3ccccc23)c2ccccc12
• InChI: InChI=1S/C50H48N2/c1-8-34(2)14-13-31-51(40-25-19-35(3)20-26-40)49-38(6)32-47(43-15-9-11-17-45(43)49)48-33-39(7)50(46-18-12-10-16-44(46)48)52(41-27-21-36(4)22-28-41)42-29-23-37(5)24-30-42/h8-30,32-33H,31H2,1-7H3/b14-13-,34-8-
• InChIKey: ODKKPOVZKVNLDI-DAFXAAMMSA-N
• XLogP: 14.33
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.95
LogP ≤ 5	14.33
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 2-methyl-N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N-(4-methylphenyl)naphthalen-1-amine?

The IUPAC name of 2-methyl-N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N-(4-methylphenyl)naphthalen-1-amine (CID 155108262) is 2-methyl-N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N-(4-methylphenyl)naphthalen-1-amine.

What is the SMILES notation for 2-methyl-N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N-(4-methylphenyl)naphthalen-1-amine?

The canonical SMILES for 2-methyl-N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N-(4-methylphenyl)naphthalen-1-amine is C/C=C(C)\C=C/CN(c1ccc(C)cc1)c1c(C)cc(-c2cc(C)c(N(c3ccc(C)cc3)c3ccc(C)cc3)c3ccccc23)c2ccccc12.

What is the InChIKey of 2-methyl-N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N-(4-methylphenyl)naphthalen-1-amine?

The InChIKey is ODKKPOVZKVNLDI-DAFXAAMMSA-N. The full InChI is InChI=1S/C50H48N2/c1-8-34(2)14-13-31-51(40-25-19-35(3)20-26-40)49-38(6)32-47(43-15-9-11-17-45(43)49)48-33-39(7)50(46-18-12-10-16-44(46)48)52(41-27-21-36(4)22-28-41)42-29-23-37(5)24-30-42/h8-30,32-33H,31H2,1-7H3/b14-13-,34-8-.

What are the key properties of 2-methyl-N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N-(4-methylphenyl)naphthalen-1-amine?

2-methyl-N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N-(4-methylphenyl)naphthalen-1-amine has a molecular weight of 676.95 g/mol, XLogP of 14.33, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N-(4-methylphenyl)naphthalen-1-amine is sourced from PubChem (CID 155108262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).