7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-diphenylimidazo[1,2-f]phenanthridine

C42H27N5 — CID 58038117

About 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-diphenylimidazo[1,2-f]phenanthridine

7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-diphenylimidazo[1,2-f]phenanthridine (PubChem CID 58038117) has the molecular formula C42H27N5 and a molecular weight of 601.71 g/mol. Its IUPAC name is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-diphenylimidazo[1,2-f]phenanthridine.

Molecular Properties

• Compound Name: 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-diphenylimidazo[1,2-f]phenanthridine
• PubChem CID: 58038117
• Molecular Formula: C42H27N5
• Molecular Weight: 601.71 g/mol
• Exact Mass: 601.23
• IUPAC Name: 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-diphenylimidazo[1,2-f]phenanthridine
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3c3nc(-c5ccccc5)c(-c5ccccc5)n43)n2)cc1
• InChI: InChI=1S/C42H27N5/c1-5-15-28(16-6-1)37-38(29-17-7-2-8-18-29)47-36-26-25-32(27-35(36)33-23-13-14-24-34(33)42(47)43-37)41-45-39(30-19-9-3-10-20-30)44-40(46-41)31-21-11-4-12-22-31/h1-27H
• InChIKey: PJVRSHFHYZEIPY-UHFFFAOYSA-N
• XLogP: 10.16
• TPSA: 55.97 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.71
LogP ≤ 5	10.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-diphenylimidazo[1,2-f]phenanthridine?

The IUPAC name of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-diphenylimidazo[1,2-f]phenanthridine (CID 58038117) is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-diphenylimidazo[1,2-f]phenanthridine.

What is the SMILES notation for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-diphenylimidazo[1,2-f]phenanthridine?

The canonical SMILES for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-diphenylimidazo[1,2-f]phenanthridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3c3nc(-c5ccccc5)c(-c5ccccc5)n43)n2)cc1.

What is the InChIKey of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-diphenylimidazo[1,2-f]phenanthridine?

The InChIKey is PJVRSHFHYZEIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N5/c1-5-15-28(16-6-1)37-38(29-17-7-2-8-18-29)47-36-26-25-32(27-35(36)33-23-13-14-24-34(33)42(47)43-37)41-45-39(30-19-9-3-10-20-30)44-40(46-41)31-21-11-4-12-22-31/h1-27H.

What are the key properties of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-diphenylimidazo[1,2-f]phenanthridine?

7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-diphenylimidazo[1,2-f]phenanthridine has a molecular weight of 601.71 g/mol, XLogP of 10.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-diphenylimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 58038117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).