4-methyl-N-[4-[2-[6-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline

C58H48N2 — CID 58635015

About 4-methyl-N-[4-[2-[6-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline

4-methyl-N-[4-[2-[6-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline (PubChem CID 58635015) has the molecular formula C58H48N2 and a molecular weight of 773.04 g/mol. Its IUPAC name is 4-methyl-N-[4-[2-[6-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline.

Molecular Properties

• Compound Name: 4-methyl-N-[4-[2-[6-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
• PubChem CID: 58635015
• Molecular Formula: C58H48N2
• Molecular Weight: 773.04 g/mol
• Exact Mass: 772.38
• IUPAC Name: 4-methyl-N-[4-[2-[6-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
• SMILES: Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=Cc3ccc4cc5cc(C=Cc6ccc(N(c7ccc(C)cc7)c7ccc(C)cc7)cc6)ccc5cc4c3)cc2)cc1
• InChI: InChI=1S/C58H48N2/c1-41-5-25-53(26-6-41)59(54-27-7-42(2)8-28-54)57-33-19-45(20-34-57)13-15-47-17-23-49-40-52-38-48(18-24-50(52)39-51(49)37-47)16-14-46-21-35-58(36-22-46)60(55-29-9-43(3)10-30-55)56-31-11-44(4)12-32-56/h5-40H,1-4H3
• InChIKey: WFEYGANOXHYOSY-UHFFFAOYSA-N
• XLogP: 16.51
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	773.04
LogP ≤ 5	16.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[2-[6-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline?

The IUPAC name of 4-methyl-N-[4-[2-[6-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline (CID 58635015) is 4-methyl-N-[4-[2-[6-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline.

What is the SMILES notation for 4-methyl-N-[4-[2-[6-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline?

The canonical SMILES for 4-methyl-N-[4-[2-[6-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=Cc3ccc4cc5cc(C=Cc6ccc(N(c7ccc(C)cc7)c7ccc(C)cc7)cc6)ccc5cc4c3)cc2)cc1.

What is the InChIKey of 4-methyl-N-[4-[2-[6-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline?

The InChIKey is WFEYGANOXHYOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H48N2/c1-41-5-25-53(26-6-41)59(54-27-7-42(2)8-28-54)57-33-19-45(20-34-57)13-15-47-17-23-49-40-52-38-48(18-24-50(52)39-51(49)37-47)16-14-46-21-35-58(36-22-46)60(55-29-9-43(3)10-30-55)56-31-11-44(4)12-32-56/h5-40H,1-4H3.

What are the key properties of 4-methyl-N-[4-[2-[6-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline?

4-methyl-N-[4-[2-[6-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline has a molecular weight of 773.04 g/mol, XLogP of 16.51, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[4-[2-[6-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline is sourced from PubChem (CID 58635015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).