N-[2-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-6-[(Z)-prop-1-enyl]phenyl]methanimine

C41H30N4 — CID 138750278

About N-[2-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-6-[(Z)-prop-1-enyl]phenyl]methanimine

N-[2-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-6-[(Z)-prop-1-enyl]phenyl]methanimine (PubChem CID 138750278) has the molecular formula C41H30N4 and a molecular weight of 578.72 g/mol. Its IUPAC name is N-[2-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-6-[(Z)-prop-1-enyl]phenyl]methanimine.

Molecular Properties

• Compound Name: N-[2-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-6-[(Z)-prop-1-enyl]phenyl]methanimine
• PubChem CID: 138750278
• Molecular Formula: C41H30N4
• Molecular Weight: 578.72 g/mol
• Exact Mass: 578.25
• IUPAC Name: N-[2-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-6-[(Z)-prop-1-enyl]phenyl]methanimine
• SMILES: C=Nc1c(/C=C\C)cccc1-c1ccc2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2c1
• InChI: InChI=1S/C41H30N4/c1-3-11-30-16-10-17-37(38(30)42-2)35-25-21-29-20-24-34(26-36(29)27-35)28-18-22-33(23-19-28)41-44-39(31-12-6-4-7-13-31)43-40(45-41)32-14-8-5-9-15-32/h3-27H,2H2,1H3/b11-3-
• InChIKey: DIGZJZZIPMIQAO-JYOAFUTRSA-N
• XLogP: 10.73
• TPSA: 51.03 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.72
LogP ≤ 5	10.73
H-Bond Donors ≤ 5	0
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 N-[2-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-6-[(Z)-prop-1-enyl]phenyl]methanimine?

The IUPAC name of N-[2-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-6-[(Z)-prop-1-enyl]phenyl]methanimine (CID 138750278) is N-[2-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-6-[(Z)-prop-1-enyl]phenyl]methanimine.

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

The canonical SMILES for N-[2-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-6-[(Z)-prop-1-enyl]phenyl]methanimine is C=Nc1c(/C=C\C)cccc1-c1ccc2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2c1.

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

The InChIKey is DIGZJZZIPMIQAO-JYOAFUTRSA-N. The full InChI is InChI=1S/C41H30N4/c1-3-11-30-16-10-17-37(38(30)42-2)35-25-21-29-20-24-34(26-36(29)27-35)28-18-22-33(23-19-28)41-44-39(31-12-6-4-7-13-31)43-40(45-41)32-14-8-5-9-15-32/h3-27H,2H2,1H3/b11-3-.

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

N-[2-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-6-[(Z)-prop-1-enyl]phenyl]methanimine has a molecular weight of 578.72 g/mol, XLogP of 10.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-6-[(Z)-prop-1-enyl]phenyl]methanimine is sourced from PubChem (CID 138750278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).