2-(4-cyclohexylphenyl)-4-[3-[2-[3-[4-(4-cyclohexylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazine

C60H52N6 — CID 168843560

About 2-(4-cyclohexylphenyl)-4-[3-[2-[3-[4-(4-cyclohexylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazine

2-(4-cyclohexylphenyl)-4-[3-[2-[3-[4-(4-cyclohexylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 168843560) has the molecular formula C60H52N6 and a molecular weight of 857.12 g/mol. Its IUPAC name is 2-(4-cyclohexylphenyl)-4-[3-[2-[3-[4-(4-cyclohexylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(4-cyclohexylphenyl)-4-[3-[2-[3-[4-(4-cyclohexylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
• PubChem CID: 168843560
• Molecular Formula: C60H52N6
• Molecular Weight: 857.12 g/mol
• Exact Mass: 856.43
• IUPAC Name: 2-(4-cyclohexylphenyl)-4-[3-[2-[3-[4-(4-cyclohexylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccc(C4CCCCC4)cc3)nc(-c3cccc(-c4ccccc4-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc(C7CCCCC7)cc6)n5)c4)c3)n2)cc1
• InChI: InChI=1S/C60H52N6/c1-5-17-41(18-6-1)43-31-35-47(36-32-43)57-61-55(45-21-9-3-10-22-45)63-59(65-57)51-27-15-25-49(39-51)53-29-13-14-30-54(53)50-26-16-28-52(40-50)60-64-56(46-23-11-4-12-24-46)62-58(66-60)48-37-33-44(34-38-48)42-19-7-2-8-20-42/h3-4,9-16,21-42H,1-2,5-8,17-20H2
• InChIKey: UAHOJFZLFFGIOF-UHFFFAOYSA-N
• XLogP: 15.49
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	857.12
LogP ≤ 5	15.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenyl)-4-[3-[2-[3-[4-(4-cyclohexylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-(4-cyclohexylphenyl)-4-[3-[2-[3-[4-(4-cyclohexylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazine (CID 168843560) is 2-(4-cyclohexylphenyl)-4-[3-[2-[3-[4-(4-cyclohexylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-(4-cyclohexylphenyl)-4-[3-[2-[3-[4-(4-cyclohexylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-(4-cyclohexylphenyl)-4-[3-[2-[3-[4-(4-cyclohexylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(C4CCCCC4)cc3)nc(-c3cccc(-c4ccccc4-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc(C7CCCCC7)cc6)n5)c4)c3)n2)cc1.

What is the InChIKey of 2-(4-cyclohexylphenyl)-4-[3-[2-[3-[4-(4-cyclohexylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazine?

The InChIKey is UAHOJFZLFFGIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H52N6/c1-5-17-41(18-6-1)43-31-35-47(36-32-43)57-61-55(45-21-9-3-10-22-45)63-59(65-57)51-27-15-25-49(39-51)53-29-13-14-30-54(53)50-26-16-28-52(40-50)60-64-56(46-23-11-4-12-24-46)62-58(66-60)48-37-33-44(34-38-48)42-19-7-2-8-20-42/h3-4,9-16,21-42H,1-2,5-8,17-20H2.

What are the key properties of 2-(4-cyclohexylphenyl)-4-[3-[2-[3-[4-(4-cyclohexylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazine?

2-(4-cyclohexylphenyl)-4-[3-[2-[3-[4-(4-cyclohexylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 857.12 g/mol, XLogP of 15.49, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclohexylphenyl)-4-[3-[2-[3-[4-(4-cyclohexylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 168843560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).