2-[3-chloro-5-(2,3-dimethyl-4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine

C34H25ClN4 — CID 118877692

IUPAC2-[3-chloro-5-(2,3-dimethyl-4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1c(-c2cc(Cl)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)ccc(-c2ccccn2)c1C
InChIInChI=1S/C34H25ClN4/c1-22-23(2)30(31-15-9-10-18-36-31)17-16-29(22)26-19-27(21-28(35)20-26)34-38-32(24-11-5-3-6-12-24)37-33(39-34)25-13-7-4-8-14-25/h3-21H,1-2H3
InChIKeyHJZVGRCANSAAIV-UHFFFAOYSA-N
MW525.06 g/mol
LogP8.87
Rot. Bonds5

About 2-[3-chloro-5-(2,3-dimethyl-4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine

2-[3-chloro-5-(2,3-dimethyl-4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 118877692) has the molecular formula C34H25ClN4 and a molecular weight of 525.06 g/mol. Its IUPAC name is 2-[3-chloro-5-(2,3-dimethyl-4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-chloro-5-(2,3-dimethyl-4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID118877692
Molecular FormulaC34H25ClN4
Molecular Weight525.06 g/mol
Exact Mass524.18
IUPAC Name2-[3-chloro-5-(2,3-dimethyl-4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1c(-c2cc(Cl)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)ccc(-c2ccccn2)c1C
InChIInChI=1S/C34H25ClN4/c1-22-23(2)30(31-15-9-10-18-36-31)17-16-29(22)26-19-27(21-28(35)20-26)34-38-32(24-11-5-3-6-12-24)37-33(39-34)25-13-7-4-8-14-25/h3-21H,1-2H3
InChIKeyHJZVGRCANSAAIV-UHFFFAOYSA-N
XLogP8.87
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.06
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(2,3-dimethyl-4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-chloro-5-(2,3-dimethyl-4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 118877692) is 2-[3-chloro-5-(2,3-dimethyl-4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-chloro-5-(2,3-dimethyl-4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-chloro-5-(2,3-dimethyl-4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine is Cc1c(-c2cc(Cl)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)ccc(-c2ccccn2)c1C.
What is the InChIKey of 2-[3-chloro-5-(2,3-dimethyl-4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is HJZVGRCANSAAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25ClN4/c1-22-23(2)30(31-15-9-10-18-36-31)17-16-29(22)26-19-27(21-28(35)20-26)34-38-32(24-11-5-3-6-12-24)37-33(39-34)25-13-7-4-8-14-25/h3-21H,1-2H3.
What are the key properties of 2-[3-chloro-5-(2,3-dimethyl-4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-chloro-5-(2,3-dimethyl-4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 525.06 g/mol, XLogP of 8.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(2,3-dimethyl-4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 118877692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).