(Z)-1,3-diphenyl-3-[7-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]prop-2-en-1-imine

C52H36N4 — CID 166569065

About (Z)-1,3-diphenyl-3-[7-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]prop-2-en-1-imine

(Z)-1,3-diphenyl-3-[7-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]prop-2-en-1-imine (PubChem CID 166569065) has the molecular formula C52H36N4 and a molecular weight of 716.89 g/mol. Its IUPAC name is (Z)-1,3-diphenyl-3-[7-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]prop-2-en-1-imine.

Molecular Properties

• Compound Name: (Z)-1,3-diphenyl-3-[7-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]prop-2-en-1-imine
• PubChem CID: 166569065
• Molecular Formula: C52H36N4
• Molecular Weight: 716.89 g/mol
• Exact Mass: 716.29
• IUPAC Name: (Z)-1,3-diphenyl-3-[7-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]prop-2-en-1-imine
• SMILES: [H]/N=C(/C=C(/c1ccccc1)c1cccc2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)c3)cc12)c1ccccc1
• InChI: InChI=1S/C52H36N4/c53-49(39-20-9-3-10-21-39)35-48(37-18-7-2-8-19-37)46-29-15-24-38-30-31-43(34-47(38)46)42-26-14-28-45(33-42)52-55-50(40-22-11-4-12-23-40)54-51(56-52)44-27-13-25-41(32-44)36-16-5-1-6-17-36/h1-35,53H/b48-35-,53-49-
• InChIKey: KNYZFHCWSPBZLL-JGKNMGDHSA-N
• XLogP: 12.86
• TPSA: 62.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.89
LogP ≤ 5	12.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-1,3-diphenyl-3-[7-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]prop-2-en-1-imine?

The IUPAC name of (Z)-1,3-diphenyl-3-[7-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]prop-2-en-1-imine (CID 166569065) is (Z)-1,3-diphenyl-3-[7-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]prop-2-en-1-imine.

What is the SMILES notation for (Z)-1,3-diphenyl-3-[7-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]prop-2-en-1-imine?

The canonical SMILES for (Z)-1,3-diphenyl-3-[7-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]prop-2-en-1-imine is [H]/N=C(/C=C(/c1ccccc1)c1cccc2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)c3)cc12)c1ccccc1.

What is the InChIKey of (Z)-1,3-diphenyl-3-[7-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]prop-2-en-1-imine?

The InChIKey is KNYZFHCWSPBZLL-JGKNMGDHSA-N. The full InChI is InChI=1S/C52H36N4/c53-49(39-20-9-3-10-21-39)35-48(37-18-7-2-8-19-37)46-29-15-24-38-30-31-43(34-47(38)46)42-26-14-28-45(33-42)52-55-50(40-22-11-4-12-23-40)54-51(56-52)44-27-13-25-41(32-44)36-16-5-1-6-17-36/h1-35,53H/b48-35-,53-49-.

What are the key properties of (Z)-1,3-diphenyl-3-[7-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]prop-2-en-1-imine?

(Z)-1,3-diphenyl-3-[7-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]prop-2-en-1-imine has a molecular weight of 716.89 g/mol, XLogP of 12.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-1,3-diphenyl-3-[7-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]prop-2-en-1-imine is sourced from PubChem (CID 166569065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).