6-[4-[2-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]quinolin-6-yl]phenyl]-N,N-bis(4-methylphenyl)pyridin-3-amine

C62H50N4 — CID 76600727

About 6-[4-[2-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]quinolin-6-yl]phenyl]-N,N-bis(4-methylphenyl)pyridin-3-amine

6-[4-[2-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]quinolin-6-yl]phenyl]-N,N-bis(4-methylphenyl)pyridin-3-amine (PubChem CID 76600727) has the molecular formula C62H50N4 and a molecular weight of 851.11 g/mol. Its IUPAC name is 6-[4-[2-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]quinolin-6-yl]phenyl]-N,N-bis(4-methylphenyl)pyridin-3-amine.

Molecular Properties

• Compound Name: 6-[4-[2-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]quinolin-6-yl]phenyl]-N,N-bis(4-methylphenyl)pyridin-3-amine
• PubChem CID: 76600727
• Molecular Formula: C62H50N4
• Molecular Weight: 851.11 g/mol
• Exact Mass: 850.40
• IUPAC Name: 6-[4-[2-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]quinolin-6-yl]phenyl]-N,N-bis(4-methylphenyl)pyridin-3-amine
• SMILES: Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=Cc3ccc(-c4ccc5cc(-c6ccc(-c7ccc(N(c8ccc(C)cc8)c8ccc(C)cc8)cn7)cc6)ccc5n4)cc3)cc2)cc1
• InChI: InChI=1S/C62H50N4/c1-43-5-27-54(28-6-43)65(55-29-7-44(2)8-30-55)58-35-17-48(18-36-58)14-13-47-15-19-51(20-16-47)61-39-26-53-41-52(25-38-62(53)64-61)49-21-23-50(24-22-49)60-40-37-59(42-63-60)66(56-31-9-45(3)10-32-56)57-33-11-46(4)12-34-57/h5-42H,1-4H3
• InChIKey: LHFLAOMLSDXNBD-UHFFFAOYSA-N
• XLogP: 16.97
• TPSA: 32.26 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	851.11
LogP ≤ 5	16.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]quinolin-6-yl]phenyl]-N,N-bis(4-methylphenyl)pyridin-3-amine?

The IUPAC name of 6-[4-[2-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]quinolin-6-yl]phenyl]-N,N-bis(4-methylphenyl)pyridin-3-amine (CID 76600727) is 6-[4-[2-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]quinolin-6-yl]phenyl]-N,N-bis(4-methylphenyl)pyridin-3-amine.

What is the SMILES notation for 6-[4-[2-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]quinolin-6-yl]phenyl]-N,N-bis(4-methylphenyl)pyridin-3-amine?

The canonical SMILES for 6-[4-[2-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]quinolin-6-yl]phenyl]-N,N-bis(4-methylphenyl)pyridin-3-amine is Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=Cc3ccc(-c4ccc5cc(-c6ccc(-c7ccc(N(c8ccc(C)cc8)c8ccc(C)cc8)cn7)cc6)ccc5n4)cc3)cc2)cc1.

What is the InChIKey of 6-[4-[2-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]quinolin-6-yl]phenyl]-N,N-bis(4-methylphenyl)pyridin-3-amine?

The InChIKey is LHFLAOMLSDXNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H50N4/c1-43-5-27-54(28-6-43)65(55-29-7-44(2)8-30-55)58-35-17-48(18-36-58)14-13-47-15-19-51(20-16-47)61-39-26-53-41-52(25-38-62(53)64-61)49-21-23-50(24-22-49)60-40-37-59(42-63-60)66(56-31-9-45(3)10-32-56)57-33-11-46(4)12-34-57/h5-42H,1-4H3.

What are the key properties of 6-[4-[2-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]quinolin-6-yl]phenyl]-N,N-bis(4-methylphenyl)pyridin-3-amine?

6-[4-[2-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]quinolin-6-yl]phenyl]-N,N-bis(4-methylphenyl)pyridin-3-amine has a molecular weight of 851.11 g/mol, XLogP of 16.97, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[2-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]quinolin-6-yl]phenyl]-N,N-bis(4-methylphenyl)pyridin-3-amine is sourced from PubChem (CID 76600727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).