6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[k]phenanthridin-4-ol

C44H28N4O — CID 147558915

About 6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[k]phenanthridin-4-ol

6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[k]phenanthridin-4-ol (PubChem CID 147558915) has the molecular formula C44H28N4O and a molecular weight of 628.74 g/mol. Its IUPAC name is 6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[k]phenanthridin-4-ol.

Molecular Properties

• Compound Name: 6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[k]phenanthridin-4-ol
• PubChem CID: 147558915
• Molecular Formula: C44H28N4O
• Molecular Weight: 628.74 g/mol
• Exact Mass: 628.23
• IUPAC Name: 6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[k]phenanthridin-4-ol
• SMILES: Oc1cccc2c1nc(-c1ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc1)c1ccc3ccccc3c12
• InChI: InChI=1S/C44H28N4O/c49-38-17-9-16-36-39-35-15-8-7-10-30(35)26-27-37(39)40(45-41(36)38)31-22-18-28(19-23-31)29-20-24-34(25-21-29)44-47-42(32-11-3-1-4-12-32)46-43(48-44)33-13-5-2-6-14-33/h1-27,49H
• InChIKey: FSFWGPQIZTYUIH-UHFFFAOYSA-N
• XLogP: 10.77
• TPSA: 71.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	628.74
LogP ≤ 5	10.77
H-Bond Donors ≤ 5	1
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 6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[k]phenanthridin-4-ol?

The IUPAC name of 6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[k]phenanthridin-4-ol (CID 147558915) is 6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[k]phenanthridin-4-ol.

What is the SMILES notation for 6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[k]phenanthridin-4-ol?

The canonical SMILES for 6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[k]phenanthridin-4-ol is Oc1cccc2c1nc(-c1ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc1)c1ccc3ccccc3c12.

What is the InChIKey of 6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[k]phenanthridin-4-ol?

The InChIKey is FSFWGPQIZTYUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4O/c49-38-17-9-16-36-39-35-15-8-7-10-30(35)26-27-37(39)40(45-41(36)38)31-22-18-28(19-23-31)29-20-24-34(25-21-29)44-47-42(32-11-3-1-4-12-32)46-43(48-44)33-13-5-2-6-14-33/h1-27,49H.

What are the key properties of 6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[k]phenanthridin-4-ol?

6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[k]phenanthridin-4-ol has a molecular weight of 628.74 g/mol, XLogP of 10.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[k]phenanthridin-4-ol is sourced from PubChem (CID 147558915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).