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

C43H32N8 — CID 121315536

IUPAC2-phenyl-4-[4-[2-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-6-pyridin-2-yl-1,3,5-triazine
SMILESCC(C)(c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccn3)n2)cc1)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C43H32N8/c1-43(2,33-23-19-31(20-24-33)39-46-37(29-13-5-3-6-14-29)48-41(50-39)35-17-9-11-27-44-35)34-25-21-32(22-26-34)40-47-38(30-15-7-4-8-16-30)49-42(51-40)36-18-10-12-28-45-36/h3-28H,1-2H3
InChIKeySBKDXGPNFXOJHH-UHFFFAOYSA-N
MW660.79 g/mol
LogP9.17
Rot. Bonds8

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

2-phenyl-4-[4-[2-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-6-pyridin-2-yl-1,3,5-triazine (PubChem CID 121315536) has the molecular formula C43H32N8 and a molecular weight of 660.79 g/mol. Its IUPAC name is 2-phenyl-4-[4-[2-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-6-pyridin-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-[4-[2-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-6-pyridin-2-yl-1,3,5-triazine
PubChem CID121315536
Molecular FormulaC43H32N8
Molecular Weight660.79 g/mol
Exact Mass660.27
IUPAC Name2-phenyl-4-[4-[2-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-6-pyridin-2-yl-1,3,5-triazine
SMILESCC(C)(c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccn3)n2)cc1)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C43H32N8/c1-43(2,33-23-19-31(20-24-33)39-46-37(29-13-5-3-6-14-29)48-41(50-39)35-17-9-11-27-44-35)34-25-21-32(22-26-34)40-47-38(30-15-7-4-8-16-30)49-42(51-40)36-18-10-12-28-45-36/h3-28H,1-2H3
InChIKeySBKDXGPNFXOJHH-UHFFFAOYSA-N
XLogP9.17
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.79
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-phenyl-4-[4-[2-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-6-pyridin-2-yl-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[4-[2-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-6-pyridin-2-yl-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-[4-[2-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-6-pyridin-2-yl-1,3,5-triazine (CID 121315536) is 2-phenyl-4-[4-[2-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-6-pyridin-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-[4-[2-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-6-pyridin-2-yl-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-[4-[2-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-6-pyridin-2-yl-1,3,5-triazine is CC(C)(c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccn3)n2)cc1)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccn3)n2)cc1.
What is the InChIKey of 2-phenyl-4-[4-[2-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-6-pyridin-2-yl-1,3,5-triazine?
The InChIKey is SBKDXGPNFXOJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N8/c1-43(2,33-23-19-31(20-24-33)39-46-37(29-13-5-3-6-14-29)48-41(50-39)35-17-9-11-27-44-35)34-25-21-32(22-26-34)40-47-38(30-15-7-4-8-16-30)49-42(51-40)36-18-10-12-28-45-36/h3-28H,1-2H3.
What are the key properties of 2-phenyl-4-[4-[2-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-6-pyridin-2-yl-1,3,5-triazine?
2-phenyl-4-[4-[2-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-6-pyridin-2-yl-1,3,5-triazine has a molecular weight of 660.79 g/mol, XLogP of 9.17, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[4-[2-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-6-pyridin-2-yl-1,3,5-triazine is sourced from PubChem (CID 121315536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).