2,4-bis(3-methylphenyl)-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine

C33H25N5 — CID 67334662

IUPAC2,4-bis(3-methylphenyl)-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine
SMILESCc1cccc(-c2nc(-c3ccc(-c4cccc(-c5ccccn5)n4)cc3)nc(-c3cccc(C)c3)n2)c1
InChIInChI=1S/C33H25N5/c1-22-8-5-10-26(20-22)32-36-31(37-33(38-32)27-11-6-9-23(2)21-27)25-17-15-24(16-18-25)28-13-7-14-30(35-28)29-12-3-4-19-34-29/h3-21H,1-2H3
InChIKeyBMCFJLUAURRBEN-UHFFFAOYSA-N
MW491.60 g/mol
LogP7.61
Rot. Bonds5

About 2,4-bis(3-methylphenyl)-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine

2,4-bis(3-methylphenyl)-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine (PubChem CID 67334662) has the molecular formula C33H25N5 and a molecular weight of 491.60 g/mol. Its IUPAC name is 2,4-bis(3-methylphenyl)-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(3-methylphenyl)-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine
PubChem CID67334662
Molecular FormulaC33H25N5
Molecular Weight491.60 g/mol
Exact Mass491.21
IUPAC Name2,4-bis(3-methylphenyl)-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine
SMILESCc1cccc(-c2nc(-c3ccc(-c4cccc(-c5ccccn5)n4)cc3)nc(-c3cccc(C)c3)n2)c1
InChIInChI=1S/C33H25N5/c1-22-8-5-10-26(20-22)32-36-31(37-33(38-32)27-11-6-9-23(2)21-27)25-17-15-24(16-18-25)28-13-7-14-30(35-28)29-12-3-4-19-34-29/h3-21H,1-2H3
InChIKeyBMCFJLUAURRBEN-UHFFFAOYSA-N
XLogP7.61
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.60
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-methylphenyl)-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-bis(3-methylphenyl)-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine (CID 67334662) is 2,4-bis(3-methylphenyl)-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(3-methylphenyl)-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-bis(3-methylphenyl)-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine is Cc1cccc(-c2nc(-c3ccc(-c4cccc(-c5ccccn5)n4)cc3)nc(-c3cccc(C)c3)n2)c1.
What is the InChIKey of 2,4-bis(3-methylphenyl)-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine?
The InChIKey is BMCFJLUAURRBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N5/c1-22-8-5-10-26(20-22)32-36-31(37-33(38-32)27-11-6-9-23(2)21-27)25-17-15-24(16-18-25)28-13-7-14-30(35-28)29-12-3-4-19-34-29/h3-21H,1-2H3.
What are the key properties of 2,4-bis(3-methylphenyl)-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine?
2,4-bis(3-methylphenyl)-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine has a molecular weight of 491.60 g/mol, XLogP of 7.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3-methylphenyl)-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 67334662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).