2-(6-chlorodibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine

C27H16ClN3S — CID 139440424

IUPAC2-(6-chlorodibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
SMILESClc1cccc2c1sc1ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc12
InChIInChI=1S/C27H16ClN3S/c28-22-13-7-12-20-21-16-19(14-15-23(21)32-24(20)22)27-30-25(17-8-3-1-4-9-17)29-26(31-27)18-10-5-2-6-11-18/h1-16H
InChIKeyJGNIPEMQNKEMDO-UHFFFAOYSA-N
MW449.97 g/mol
LogP7.89
Rot. Bonds3

About 2-(6-chlorodibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine

2-(6-chlorodibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 139440424) has the molecular formula C27H16ClN3S and a molecular weight of 449.97 g/mol. Its IUPAC name is 2-(6-chlorodibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(6-chlorodibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID139440424
Molecular FormulaC27H16ClN3S
Molecular Weight449.97 g/mol
Exact Mass449.08
IUPAC Name2-(6-chlorodibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
SMILESClc1cccc2c1sc1ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc12
InChIInChI=1S/C27H16ClN3S/c28-22-13-7-12-20-21-16-19(14-15-23(21)32-24(20)22)27-30-25(17-8-3-1-4-9-17)29-26(31-27)18-10-5-2-6-11-18/h1-16H
InChIKeyJGNIPEMQNKEMDO-UHFFFAOYSA-N
XLogP7.89
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.97
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952783
2-(8-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952729
2-chloro-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 135379549
2,4-bis(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 163871396
2,4-diphenyl-6-[3-(21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]-1,3,5-triazine
CID 134299695
2-[3-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 122679618
2,4-diphenyl-6-[8-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-4-yl]-1,3,5-triazine
CID 155328822
2-[6-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155050562
2-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-[6-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159445296
2,4-diphenyl-6-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3,5-triazine;2-[6-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[6-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 159598295
2-dibenzothiophen-2-yl-4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050112
2-[3-(8-dibenzothiophen-4-yldibenzothiophen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155377191

Frequently Asked Questions

What is the IUPAC name of 2-(6-chlorodibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(6-chlorodibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine (CID 139440424) is 2-(6-chlorodibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(6-chlorodibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(6-chlorodibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine is Clc1cccc2c1sc1ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc12.
What is the InChIKey of 2-(6-chlorodibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is JGNIPEMQNKEMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16ClN3S/c28-22-13-7-12-20-21-16-19(14-15-23(21)32-24(20)22)27-30-25(17-8-3-1-4-9-17)29-26(31-27)18-10-5-2-6-11-18/h1-16H.
What are the key properties of 2-(6-chlorodibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine?
2-(6-chlorodibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 449.97 g/mol, XLogP of 7.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chlorodibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 139440424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).