2-(2-chlorophenyl)-4-[4-(3-methyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine

C27H19ClN4 — CID 163651654

IUPAC2-(2-chlorophenyl)-4-[4-(3-methyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine
SMILESCc1cccnc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C27H19ClN4/c1-18-8-7-17-29-24(18)19-13-15-21(16-14-19)26-30-25(20-9-3-2-4-10-20)31-27(32-26)22-11-5-6-12-23(22)28/h2-17H,1H3
InChIKeyIMSVRMGXZMFZEB-UHFFFAOYSA-N
MW434.93 g/mol
LogP6.90
Rot. Bonds4

About 2-(2-chlorophenyl)-4-[4-(3-methyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine

2-(2-chlorophenyl)-4-[4-(3-methyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 163651654) has the molecular formula C27H19ClN4 and a molecular weight of 434.93 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-[4-(3-methyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-[4-(3-methyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine
PubChem CID163651654
Molecular FormulaC27H19ClN4
Molecular Weight434.93 g/mol
Exact Mass434.13
IUPAC Name2-(2-chlorophenyl)-4-[4-(3-methyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine
SMILESCc1cccnc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C27H19ClN4/c1-18-8-7-17-29-24(18)19-13-15-21(16-14-19)26-30-25(20-9-3-2-4-10-20)31-27(32-26)22-11-5-6-12-23(22)28/h2-17H,1H3
InChIKeyIMSVRMGXZMFZEB-UHFFFAOYSA-N
XLogP6.90
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.93
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 155151395
2-[4-[3-(3-methyl-2-pyridinyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146586970
2,4-bis(4-phenylphenyl)-6-[4-(3-phenyl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 156692460
4,6-dichloro-2-(3-methyl-2-pyridinyl)-5-phenylpyrimidine
CID 65430629
2-[3-(3-methyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 140703499
2-(2-chlorophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 142752418
ethane;3-methyl-2-phenylpyridine;pentane
CID 155691053
3-methyl-2-(3-phenylphenyl)pyridine
CID 58975820
2-(2-chloro-5-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 175256430
5-methyl-4-(2-methylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 123896494
2-(2,6-dichlorophenyl)-3-methylpyridine
CID 118841939
2-methyl-4-[2-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 145017131

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-[4-(3-methyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(2-chlorophenyl)-4-[4-(3-methyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine (CID 163651654) is 2-(2-chlorophenyl)-4-[4-(3-methyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(2-chlorophenyl)-4-[4-(3-methyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(2-chlorophenyl)-4-[4-(3-methyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine is Cc1cccnc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3Cl)n2)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-4-[4-(3-methyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is IMSVRMGXZMFZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClN4/c1-18-8-7-17-29-24(18)19-13-15-21(16-14-19)26-30-25(20-9-3-2-4-10-20)31-27(32-26)22-11-5-6-12-23(22)28/h2-17H,1H3.
What are the key properties of 2-(2-chlorophenyl)-4-[4-(3-methyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine?
2-(2-chlorophenyl)-4-[4-(3-methyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 434.93 g/mol, XLogP of 6.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-[4-(3-methyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 163651654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).