2-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-4-[3-(4-methyl-6-propan-2-yl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-6-propan-2-yl-1,3,5-triazine

C39H42N10 — CID 176842945

About 2-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-4-[3-(4-methyl-6-propan-2-yl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-6-propan-2-yl-1,3,5-triazine

2-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-4-[3-(4-methyl-6-propan-2-yl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-6-propan-2-yl-1,3,5-triazine (PubChem CID 176842945) has the molecular formula C39H42N10 and a molecular weight of 650.84 g/mol. Its IUPAC name is 2-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-4-[3-(4-methyl-6-propan-2-yl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-6-propan-2-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-4-[3-(4-methyl-6-propan-2-yl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-6-propan-2-yl-1,3,5-triazine
• PubChem CID: 176842945
• Molecular Formula: C39H42N10
• Molecular Weight: 650.84 g/mol
• Exact Mass: 650.36
• IUPAC Name: 2-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-4-[3-(4-methyl-6-propan-2-yl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-6-propan-2-yl-1,3,5-triazine
• SMILES: Cc1nc(-c2cc(-c3ccncc3)cc(-c3nc(-c4cccc(-c5nc(C(C)C)nc(C(C)C)n5)c4)nc(C(C)C)n3)c2)nc(C(C)C)n1
• InChI: InChI=1S/C39H42N10/c1-21(2)32-41-25(9)42-38(44-32)30-18-29(26-13-15-40-16-14-26)19-31(20-30)39-48-35(24(7)8)47-37(49-39)28-12-10-11-27(17-28)36-45-33(22(3)4)43-34(46-36)23(5)6/h10-24H,1-9H3
• InChIKey: JRHMDBKFFVFCCO-UHFFFAOYSA-N
• XLogP: 8.77
• TPSA: 128.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.84
LogP ≤ 5	8.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-4-[3-(4-methyl-6-propan-2-yl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-6-propan-2-yl-1,3,5-triazine?

The IUPAC name of 2-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-4-[3-(4-methyl-6-propan-2-yl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-6-propan-2-yl-1,3,5-triazine (CID 176842945) is 2-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-4-[3-(4-methyl-6-propan-2-yl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-6-propan-2-yl-1,3,5-triazine.

What is the SMILES notation for 2-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-4-[3-(4-methyl-6-propan-2-yl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-6-propan-2-yl-1,3,5-triazine?

The canonical SMILES for 2-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-4-[3-(4-methyl-6-propan-2-yl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-6-propan-2-yl-1,3,5-triazine is Cc1nc(-c2cc(-c3ccncc3)cc(-c3nc(-c4cccc(-c5nc(C(C)C)nc(C(C)C)n5)c4)nc(C(C)C)n3)c2)nc(C(C)C)n1.

What is the InChIKey of 2-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-4-[3-(4-methyl-6-propan-2-yl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-6-propan-2-yl-1,3,5-triazine?

The InChIKey is JRHMDBKFFVFCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42N10/c1-21(2)32-41-25(9)42-38(44-32)30-18-29(26-13-15-40-16-14-26)19-31(20-30)39-48-35(24(7)8)47-37(49-39)28-12-10-11-27(17-28)36-45-33(22(3)4)43-34(46-36)23(5)6/h10-24H,1-9H3.

What are the key properties of 2-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-4-[3-(4-methyl-6-propan-2-yl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-6-propan-2-yl-1,3,5-triazine?

2-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-4-[3-(4-methyl-6-propan-2-yl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-6-propan-2-yl-1,3,5-triazine has a molecular weight of 650.84 g/mol, XLogP of 8.77, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-4-[3-(4-methyl-6-propan-2-yl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-6-propan-2-yl-1,3,5-triazine is sourced from PubChem (CID 176842945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).