4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6,10-diphenylphenanthridine;4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-6,10-diphenylphenanthridine

C104H68N8 — CID 160572866

About 4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6,10-diphenylphenanthridine;4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-6,10-diphenylphenanthridine

4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6,10-diphenylphenanthridine;4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-6,10-diphenylphenanthridine (PubChem CID 160572866) has the molecular formula C104H68N8 and a molecular weight of 1429.74 g/mol. Its IUPAC name is 4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6,10-diphenylphenanthridine;4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-6,10-diphenylphenanthridine.

Molecular Properties

• Compound Name: 4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6,10-diphenylphenanthridine;4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-6,10-diphenylphenanthridine
• PubChem CID: 160572866
• Molecular Formula: C104H68N8
• Molecular Weight: 1429.74 g/mol
• Exact Mass: 1428.56
• IUPAC Name: 4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6,10-diphenylphenanthridine;4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-6,10-diphenylphenanthridine
• SMILES: c1ccc(-c2cc(-c3cccc(-c4ccc(-c5cccc6c5nc(-c5ccccc5)c5cccc(-c7ccccc7)c56)cc4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5cccc6c5nc(-c5ccccc5)c5cccc(-c7ccccc7)c56)cc4)ccn3)n2)cc1
• InChI: InChI=1S/C53H35N3.C51H33N5/c1-5-16-37(17-6-1)44-26-14-28-46-50(44)47-29-15-27-45(52(47)56-51(46)40-20-9-3-10-21-40)38-32-30-36(31-33-38)42-24-13-25-43(34-42)49-35-48(39-18-7-2-8-19-39)54-53(55-49)41-22-11-4-12-23-41;1-5-15-35(16-6-1)41-23-13-25-43-46(41)44-26-14-24-42(48(44)53-47(43)37-17-7-2-8-18-37)36-29-27-34(28-30-36)40-31-32-52-45(33-40)51-55-49(38-19-9-3-10-20-38)54-50(56-51)39-21-11-4-12-22-39/h1-35H;1-33H
• InChIKey: RATSCFOBIGJVQN-UHFFFAOYSA-N
• XLogP: 26.48
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1429.74
LogP ≤ 5	26.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6,10-diphenylphenanthridine;4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-6,10-diphenylphenanthridine?

The IUPAC name of 4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6,10-diphenylphenanthridine;4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-6,10-diphenylphenanthridine (CID 160572866) is 4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6,10-diphenylphenanthridine;4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-6,10-diphenylphenanthridine.

What is the SMILES notation for 4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6,10-diphenylphenanthridine;4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-6,10-diphenylphenanthridine?

The canonical SMILES for 4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6,10-diphenylphenanthridine;4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-6,10-diphenylphenanthridine is c1ccc(-c2cc(-c3cccc(-c4ccc(-c5cccc6c5nc(-c5ccccc5)c5cccc(-c7ccccc7)c56)cc4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5cccc6c5nc(-c5ccccc5)c5cccc(-c7ccccc7)c56)cc4)ccn3)n2)cc1.

What is the InChIKey of 4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6,10-diphenylphenanthridine;4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-6,10-diphenylphenanthridine?

The InChIKey is RATSCFOBIGJVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3.C51H33N5/c1-5-16-37(17-6-1)44-26-14-28-46-50(44)47-29-15-27-45(52(47)56-51(46)40-20-9-3-10-21-40)38-32-30-36(31-33-38)42-24-13-25-43(34-42)49-35-48(39-18-7-2-8-19-39)54-53(55-49)41-22-11-4-12-23-41;1-5-15-35(16-6-1)41-23-13-25-43-46(41)44-26-14-24-42(48(44)53-47(43)37-17-7-2-8-18-37)36-29-27-34(28-30-36)40-31-32-52-45(33-40)51-55-49(38-19-9-3-10-20-38)54-50(56-51)39-21-11-4-12-22-39/h1-35H;1-33H.

What are the key properties of 4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6,10-diphenylphenanthridine;4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-6,10-diphenylphenanthridine?

4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6,10-diphenylphenanthridine;4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-6,10-diphenylphenanthridine has a molecular weight of 1429.74 g/mol, XLogP of 26.48, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6,10-diphenylphenanthridine;4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-6,10-diphenylphenanthridine is sourced from PubChem (CID 160572866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).