6-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]-10-phenylphenanthridine

C54H34N4 — CID 146548480

About 6-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]-10-phenylphenanthridine

6-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]-10-phenylphenanthridine (PubChem CID 146548480) has the molecular formula C54H34N4 and a molecular weight of 738.89 g/mol. Its IUPAC name is 6-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]-10-phenylphenanthridine.

Molecular Properties

• Compound Name: 6-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]-10-phenylphenanthridine
• PubChem CID: 146548480
• Molecular Formula: C54H34N4
• Molecular Weight: 738.89 g/mol
• Exact Mass: 738.28
• IUPAC Name: 6-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]-10-phenylphenanthridine
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c(-c5nc6ccccc6c6c(-c7ccccc7)cccc56)c5ccccc5c5ccccc45)cc3)n2)cc1
• InChI: InChI=1S/C54H34N4/c1-4-17-35(18-5-1)40-28-16-29-46-49(40)45-27-14-15-30-47(45)55-51(46)50-44-26-13-11-24-42(44)41-23-10-12-25-43(41)48(50)36-31-33-39(34-32-36)54-57-52(37-19-6-2-7-20-37)56-53(58-54)38-21-8-3-9-22-38/h1-34H
• InChIKey: RLMQSCIKUPVEKC-UHFFFAOYSA-N
• XLogP: 13.88
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	738.89
LogP ≤ 5	13.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]-10-phenylphenanthridine?

The IUPAC name of 6-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]-10-phenylphenanthridine (CID 146548480) is 6-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]-10-phenylphenanthridine.

What is the SMILES notation for 6-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]-10-phenylphenanthridine?

The canonical SMILES for 6-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]-10-phenylphenanthridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c(-c5nc6ccccc6c6c(-c7ccccc7)cccc56)c5ccccc5c5ccccc45)cc3)n2)cc1.

What is the InChIKey of 6-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]-10-phenylphenanthridine?

The InChIKey is RLMQSCIKUPVEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4/c1-4-17-35(18-5-1)40-28-16-29-46-49(40)45-27-14-15-30-47(45)55-51(46)50-44-26-13-11-24-42(44)41-23-10-12-25-43(41)48(50)36-31-33-39(34-32-36)54-57-52(37-19-6-2-7-20-37)56-53(58-54)38-21-8-3-9-22-38/h1-34H.

What are the key properties of 6-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]-10-phenylphenanthridine?

6-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]-10-phenylphenanthridine has a molecular weight of 738.89 g/mol, XLogP of 13.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]-10-phenylphenanthridine is sourced from PubChem (CID 146548480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).