2,4-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]triazolo[4,5-k]phenanthridine;6-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,4-diphenyltriazolo[4,5-k]phenanthridine

C101H63N13 — CID 167651908

About 2,4-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]triazolo[4,5-k]phenanthridine;6-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,4-diphenyltriazolo[4,5-k]phenanthridine

2,4-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]triazolo[4,5-k]phenanthridine;6-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,4-diphenyltriazolo[4,5-k]phenanthridine (PubChem CID 167651908) has the molecular formula C101H63N13 and a molecular weight of 1458.71 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]triazolo[4,5-k]phenanthridine;6-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,4-diphenyltriazolo[4,5-k]phenanthridine.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]triazolo[4,5-k]phenanthridine;6-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,4-diphenyltriazolo[4,5-k]phenanthridine
• PubChem CID: 167651908
• Molecular Formula: C101H63N13
• Molecular Weight: 1458.71 g/mol
• Exact Mass: 1457.53
• IUPAC Name: 2,4-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]triazolo[4,5-k]phenanthridine;6-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,4-diphenyltriazolo[4,5-k]phenanthridine
• SMILES: c1ccc(-c2cc3c(-c4ccc(-c5ccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)cc5)cc4)nc4ccccc4c3c3nn(-c4ccccc4)nc23)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6nc7ccccc7c7c6cc(-c6ccccc6)c6nn(-c8ccccc8)nc67)cc5)nc4c3n2)cc1
• InChI: InChI=1S/C52H33N7.C49H30N6/c1-3-13-37(14-4-1)42-33-43-49(52-51(42)57-59(58-52)40-15-5-2-6-16-40)41-17-7-8-18-44(41)56-50(43)38-27-25-35(26-28-38)34-21-23-36(24-22-34)39-31-47(45-19-9-11-29-53-45)55-48(32-39)46-20-10-12-30-54-46;1-4-12-31(13-5-1)39-30-40-44(49-48(39)53-55(54-49)37-16-8-3-9-17-37)38-18-10-11-19-43(38)52-45(40)34-22-20-33(21-23-34)42-29-27-36-25-24-35-26-28-41(32-14-6-2-7-15-32)50-46(35)47(36)51-42/h1-33H;1-30H
• InChIKey: QRUZXUGZKDJUAE-UHFFFAOYSA-N
• XLogP: 24.20
• TPSA: 151.65 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1458.71
LogP ≤ 5	24.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]triazolo[4,5-k]phenanthridine;6-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,4-diphenyltriazolo[4,5-k]phenanthridine?

The IUPAC name of 2,4-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]triazolo[4,5-k]phenanthridine;6-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,4-diphenyltriazolo[4,5-k]phenanthridine (CID 167651908) is 2,4-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]triazolo[4,5-k]phenanthridine;6-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,4-diphenyltriazolo[4,5-k]phenanthridine.

What is the SMILES notation for 2,4-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]triazolo[4,5-k]phenanthridine;6-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,4-diphenyltriazolo[4,5-k]phenanthridine?

The canonical SMILES for 2,4-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]triazolo[4,5-k]phenanthridine;6-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,4-diphenyltriazolo[4,5-k]phenanthridine is c1ccc(-c2cc3c(-c4ccc(-c5ccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)cc5)cc4)nc4ccccc4c3c3nn(-c4ccccc4)nc23)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6nc7ccccc7c7c6cc(-c6ccccc6)c6nn(-c8ccccc8)nc67)cc5)nc4c3n2)cc1.

What is the InChIKey of 2,4-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]triazolo[4,5-k]phenanthridine;6-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,4-diphenyltriazolo[4,5-k]phenanthridine?

The InChIKey is QRUZXUGZKDJUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N7.C49H30N6/c1-3-13-37(14-4-1)42-33-43-49(52-51(42)57-59(58-52)40-15-5-2-6-16-40)41-17-7-8-18-44(41)56-50(43)38-27-25-35(26-28-38)34-21-23-36(24-22-34)39-31-47(45-19-9-11-29-53-45)55-48(32-39)46-20-10-12-30-54-46;1-4-12-31(13-5-1)39-30-40-44(49-48(39)53-55(54-49)37-16-8-3-9-17-37)38-18-10-11-19-43(38)52-45(40)34-22-20-33(21-23-34)42-29-27-36-25-24-35-26-28-41(32-14-6-2-7-15-32)50-46(35)47(36)51-42/h1-33H;1-30H.

What are the key properties of 2,4-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]triazolo[4,5-k]phenanthridine;6-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,4-diphenyltriazolo[4,5-k]phenanthridine?

2,4-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]triazolo[4,5-k]phenanthridine;6-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,4-diphenyltriazolo[4,5-k]phenanthridine has a molecular weight of 1458.71 g/mol, XLogP of 24.20, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]triazolo[4,5-k]phenanthridine;6-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,4-diphenyltriazolo[4,5-k]phenanthridine is sourced from PubChem (CID 167651908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).