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

C26H17ClN4 — CID 171832572

IUPAC2-[3-(4-chloro-2-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESClc1ccnc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c1
InChIInChI=1S/C26H17ClN4/c27-22-14-15-28-23(17-22)20-12-7-13-21(16-20)26-30-24(18-8-3-1-4-9-18)29-25(31-26)19-10-5-2-6-11-19/h1-17H
InChIKeyHTCZZXKAXRGKKT-UHFFFAOYSA-N
MW420.90 g/mol
LogP6.59
Rot. Bonds4

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

2-[3-(4-chloro-2-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 171832572) has the molecular formula C26H17ClN4 and a molecular weight of 420.90 g/mol. Its IUPAC name is 2-[3-(4-chloro-2-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(4-chloro-2-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID171832572
Molecular FormulaC26H17ClN4
Molecular Weight420.90 g/mol
Exact Mass420.11
IUPAC Name2-[3-(4-chloro-2-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESClc1ccnc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c1
InChIInChI=1S/C26H17ClN4/c27-22-14-15-28-23(17-22)20-12-7-13-21(16-20)26-30-24(18-8-3-1-4-9-18)29-25(31-26)19-10-5-2-6-11-19/h1-17H
InChIKeyHTCZZXKAXRGKKT-UHFFFAOYSA-N
XLogP6.59
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.90
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-chloropyrimidin-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 156767945
2-[3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146586988
2-(4-chloro-2-pyridinyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 171832576
2-[3-[4-chloro-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177250533
2-(4-chlorophenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425295
2-[3-(3-chlorophenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine
CID 169004297
2-[3-(6-chloronaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154696620
2-phenyl-4-[3-[3-[4-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidine
CID 178054234
2-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157455231
2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 121311668
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 157466607
2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 122606669

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chloro-2-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-(4-chloro-2-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 171832572) is 2-[3-(4-chloro-2-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(4-chloro-2-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-(4-chloro-2-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine is Clc1ccnc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c1.
What is the InChIKey of 2-[3-(4-chloro-2-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is HTCZZXKAXRGKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClN4/c27-22-14-15-28-23(17-22)20-12-7-13-21(16-20)26-30-24(18-8-3-1-4-9-18)29-25(31-26)19-10-5-2-6-11-19/h1-17H.
What are the key properties of 2-[3-(4-chloro-2-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-(4-chloro-2-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 420.90 g/mol, XLogP of 6.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chloro-2-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 171832572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).