2-(4-chrysen-2-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-chrysen-2-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

C86H54N6 — CID 157258126

About 2-(4-chrysen-2-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-chrysen-2-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

2-(4-chrysen-2-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-chrysen-2-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (PubChem CID 157258126) has the molecular formula C86H54N6 and a molecular weight of 1171.42 g/mol. Its IUPAC name is 2-(4-chrysen-2-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-chrysen-2-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(4-chrysen-2-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-chrysen-2-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
• PubChem CID: 157258126
• Molecular Formula: C86H54N6
• Molecular Weight: 1171.42 g/mol
• Exact Mass: 1170.44
• IUPAC Name: 2-(4-chrysen-2-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-chrysen-2-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccc(-c4ccc5c(ccc6c7ccccc7ccc56)c4)cc3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(ccc6c7ccccc7ccc56)c4)c4ccccc34)n2)cc1
• InChI: InChI=1S/2C43H27N3/c1-3-12-29(13-4-1)41-44-42(30-14-5-2-6-15-30)46-43(45-41)40-26-25-35(36-17-9-10-18-37(36)40)31-20-22-34-32(27-31)21-24-38-33-16-8-7-11-28(33)19-23-39(34)38;1-2-10-31(11-3-1)41-44-42(46-43(45-41)36-19-16-28-8-4-5-12-33(28)27-36)32-17-14-29(15-18-32)34-21-23-38-35(26-34)22-25-39-37-13-7-6-9-30(37)20-24-40(38)39/h2*1-27H
• InChIKey: AXDCGYXGKNLUFO-UHFFFAOYSA-N
• XLogP: 22.30
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1171.42
LogP ≤ 5	22.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-chrysen-2-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-chrysen-2-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-(4-chrysen-2-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-chrysen-2-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (CID 157258126) is 2-(4-chrysen-2-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-chrysen-2-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-(4-chrysen-2-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-chrysen-2-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-(4-chrysen-2-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-chrysen-2-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4ccc5c(ccc6c7ccccc7ccc56)c4)cc3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(ccc6c7ccccc7ccc56)c4)c4ccccc34)n2)cc1.

What is the InChIKey of 2-(4-chrysen-2-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-chrysen-2-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?

The InChIKey is AXDCGYXGKNLUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C43H27N3/c1-3-12-29(13-4-1)41-44-42(30-14-5-2-6-15-30)46-43(45-41)40-26-25-35(36-17-9-10-18-37(36)40)31-20-22-34-32(27-31)21-24-38-33-16-8-7-11-28(33)19-23-39(34)38;1-2-10-31(11-3-1)41-44-42(46-43(45-41)36-19-16-28-8-4-5-12-33(28)27-36)32-17-14-29(15-18-32)34-21-23-38-35(26-34)22-25-39-37-13-7-6-9-30(37)20-24-40(38)39/h2*1-27H.

What are the key properties of 2-(4-chrysen-2-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-chrysen-2-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?

2-(4-chrysen-2-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-chrysen-2-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine has a molecular weight of 1171.42 g/mol, XLogP of 22.30, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chrysen-2-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-chrysen-2-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 157258126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).