N-[4-[4-[N-(3,4-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]naphthalen-1-amine

C44H36N2 — CID 143485799

About N-[4-[4-[N-(3,4-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]naphthalen-1-amine

N-[4-[4-[N-(3,4-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]naphthalen-1-amine (PubChem CID 143485799) has the molecular formula C44H36N2 and a molecular weight of 592.79 g/mol. Its IUPAC name is N-[4-[4-[N-(3,4-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]naphthalen-1-amine.

Molecular Properties

• Compound Name: N-[4-[4-[N-(3,4-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]naphthalen-1-amine
• PubChem CID: 143485799
• Molecular Formula: C44H36N2
• Molecular Weight: 592.79 g/mol
• Exact Mass: 592.29
• IUPAC Name: N-[4-[4-[N-(3,4-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]naphthalen-1-amine
• SMILES: C=C/C=C(\C=C)N(c1ccc(-c2ccc(N(C3=CCCc4ccccc43)c3ccccc3)cc2)cc1)c1cccc2ccccc12
• InChI: InChI=1S/C44H36N2/c1-3-14-37(4-2)45(43-23-12-17-35-15-8-10-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-6-5-7-20-38)44-24-13-18-36-16-9-11-22-42(36)44/h3-12,14-17,19-32H,1-2,13,18H2/b37-14+
• InChIKey: SVJKTQDYCKOTQN-JAVCYFNSSA-N
• XLogP: 12.03
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.79
LogP ≤ 5	12.03
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 N-[4-[4-[N-(3,4-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]naphthalen-1-amine?

The IUPAC name of N-[4-[4-[N-(3,4-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]naphthalen-1-amine (CID 143485799) is N-[4-[4-[N-(3,4-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]naphthalen-1-amine.

What is the SMILES notation for N-[4-[4-[N-(3,4-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]naphthalen-1-amine?

The canonical SMILES for N-[4-[4-[N-(3,4-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]naphthalen-1-amine is C=C/C=C(\C=C)N(c1ccc(-c2ccc(N(C3=CCCc4ccccc43)c3ccccc3)cc2)cc1)c1cccc2ccccc12.

What is the InChIKey of N-[4-[4-[N-(3,4-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]naphthalen-1-amine?

The InChIKey is SVJKTQDYCKOTQN-JAVCYFNSSA-N. The full InChI is InChI=1S/C44H36N2/c1-3-14-37(4-2)45(43-23-12-17-35-15-8-10-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-6-5-7-20-38)44-24-13-18-36-16-9-11-22-42(36)44/h3-12,14-17,19-32H,1-2,13,18H2/b37-14+.

What are the key properties of N-[4-[4-[N-(3,4-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]naphthalen-1-amine?

N-[4-[4-[N-(3,4-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]naphthalen-1-amine has a molecular weight of 592.79 g/mol, XLogP of 12.03, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[N-(3,4-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]naphthalen-1-amine is sourced from PubChem (CID 143485799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).