2,4-dimethyl-N-[4-[2-[10-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline

C59H50N2 — CID 58177582

About 2,4-dimethyl-N-[4-[2-[10-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline

2,4-dimethyl-N-[4-[2-[10-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline (PubChem CID 58177582) has the molecular formula C59H50N2 and a molecular weight of 787.06 g/mol. Its IUPAC name is 2,4-dimethyl-N-[4-[2-[10-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline.

Molecular Properties

• Compound Name: 2,4-dimethyl-N-[4-[2-[10-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
• PubChem CID: 58177582
• Molecular Formula: C59H50N2
• Molecular Weight: 787.06 g/mol
• Exact Mass: 786.40
• IUPAC Name: 2,4-dimethyl-N-[4-[2-[10-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
• SMILES: Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=Cc3c4ccccc4c(C=Cc4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5C)cc4)c4ccccc34)cc2)cc1
• InChI: InChI=1S/C59H50N2/c1-41-14-27-48(28-15-41)60(49-29-16-42(2)17-30-49)50-33-21-46(22-34-50)25-37-57-53-10-6-8-12-55(53)58(56-13-9-7-11-54(56)57)38-26-47-23-35-52(36-24-47)61(51-31-18-43(3)19-32-51)59-39-20-44(4)40-45(59)5/h6-40H,1-5H3
• InChIKey: LDYDJJXRRKNVMC-UHFFFAOYSA-N
• XLogP: 16.82
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	787.06
LogP ≤ 5	16.82
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 2,4-dimethyl-N-[4-[2-[10-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline?

The IUPAC name of 2,4-dimethyl-N-[4-[2-[10-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline (CID 58177582) is 2,4-dimethyl-N-[4-[2-[10-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline.

What is the SMILES notation for 2,4-dimethyl-N-[4-[2-[10-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline?

The canonical SMILES for 2,4-dimethyl-N-[4-[2-[10-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=Cc3c4ccccc4c(C=Cc4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5C)cc4)c4ccccc34)cc2)cc1.

What is the InChIKey of 2,4-dimethyl-N-[4-[2-[10-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline?

The InChIKey is LDYDJJXRRKNVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H50N2/c1-41-14-27-48(28-15-41)60(49-29-16-42(2)17-30-49)50-33-21-46(22-34-50)25-37-57-53-10-6-8-12-55(53)58(56-13-9-7-11-54(56)57)38-26-47-23-35-52(36-24-47)61(51-31-18-43(3)19-32-51)59-39-20-44(4)40-45(59)5/h6-40H,1-5H3.

What are the key properties of 2,4-dimethyl-N-[4-[2-[10-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline?

2,4-dimethyl-N-[4-[2-[10-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline has a molecular weight of 787.06 g/mol, XLogP of 16.82, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-N-[4-[2-[10-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline is sourced from PubChem (CID 58177582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).