2-[3-(5-chlorocyclohexa-2,4-dien-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

C27H20ClN3 — CID 129071044

IUPAC2-[3-(5-chlorocyclohexa-2,4-dien-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESClC1=CC=CC(c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)C1
InChIInChI=1S/C27H20ClN3/c28-24-16-8-14-22(18-24)21-13-7-15-23(17-21)27-30-25(19-9-3-1-4-10-19)29-26(31-27)20-11-5-2-6-12-20/h1-17,22H,18H2
InChIKeyNGLKOKRIZQWAKH-UHFFFAOYSA-N
MW421.93 g/mol
LogP7.04
Rot. Bonds4

About 2-[3-(5-chlorocyclohexa-2,4-dien-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

2-[3-(5-chlorocyclohexa-2,4-dien-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 129071044) has the molecular formula C27H20ClN3 and a molecular weight of 421.93 g/mol. Its IUPAC name is 2-[3-(5-chlorocyclohexa-2,4-dien-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(5-chlorocyclohexa-2,4-dien-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID129071044
Molecular FormulaC27H20ClN3
Molecular Weight421.93 g/mol
Exact Mass421.13
IUPAC Name2-[3-(5-chlorocyclohexa-2,4-dien-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESClC1=CC=CC(c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)C1
InChIInChI=1S/C27H20ClN3/c28-24-16-8-14-22(18-24)21-13-7-15-23(17-21)27-30-25(19-9-3-1-4-10-19)29-26(31-27)20-11-5-2-6-12-20/h1-17,22H,18H2
InChIKeyNGLKOKRIZQWAKH-UHFFFAOYSA-N
XLogP7.04
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.93
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diphenyl-6-[5-[3-[3-(4-phenyl-6-thianthren-1-yl-1,3,5-triazin-2-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]-1,3,5-triazine
CID 174265256
9-phenyl-4-[5-[3-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole
CID 164843442
2-(5-methylcyclohexa-2,4-dien-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 134186431
2-[4-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]-4-dibenzothiophen-3-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 145430340
2-(7-chloro-1,9b-dihydrodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 163847764
2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 122606669
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-[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
2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 121311668
2-(4-chlorophenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425295
2,4-diphenyl-6-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 122606672
2-[3-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 163754127

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-chlorocyclohexa-2,4-dien-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-(5-chlorocyclohexa-2,4-dien-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 129071044) is 2-[3-(5-chlorocyclohexa-2,4-dien-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(5-chlorocyclohexa-2,4-dien-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-(5-chlorocyclohexa-2,4-dien-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is ClC1=CC=CC(c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)C1.
What is the InChIKey of 2-[3-(5-chlorocyclohexa-2,4-dien-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is NGLKOKRIZQWAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClN3/c28-24-16-8-14-22(18-24)21-13-7-15-23(17-21)27-30-25(19-9-3-1-4-10-19)29-26(31-27)20-11-5-2-6-12-20/h1-17,22H,18H2.
What are the key properties of 2-[3-(5-chlorocyclohexa-2,4-dien-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-(5-chlorocyclohexa-2,4-dien-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 421.93 g/mol, XLogP of 7.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-chlorocyclohexa-2,4-dien-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 129071044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).