2-chloro-4-(4-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine

C33H20ClN3S — CID 156828340

IUPAC2-chloro-4-(4-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILESClc1nc(-c2ccc(-c3cccc4c3sc3ccccc34)cc2)nc(-c2cccc(-c3ccccc3)c2)n1
InChIInChI=1S/C33H20ClN3S/c34-33-36-31(35-32(37-33)25-11-6-10-24(20-25)21-8-2-1-3-9-21)23-18-16-22(17-19-23)26-13-7-14-28-27-12-4-5-15-29(27)38-30(26)28/h1-20H
InChIKeyCNMWJUYKTKVMFY-UHFFFAOYSA-N
MW526.06 g/mol
LogP9.56
Rot. Bonds4

About 2-chloro-4-(4-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine

2-chloro-4-(4-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 156828340) has the molecular formula C33H20ClN3S and a molecular weight of 526.06 g/mol. Its IUPAC name is 2-chloro-4-(4-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(4-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID156828340
Molecular FormulaC33H20ClN3S
Molecular Weight526.06 g/mol
Exact Mass525.11
IUPAC Name2-chloro-4-(4-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILESClc1nc(-c2ccc(-c3cccc4c3sc3ccccc34)cc2)nc(-c2cccc(-c3ccccc3)c2)n1
InChIInChI=1S/C33H20ClN3S/c34-33-36-31(35-32(37-33)25-11-6-10-24(20-25)21-8-2-1-3-9-21)23-18-16-22(17-19-23)26-13-7-14-28-27-12-4-5-15-29(27)38-30(26)28/h1-20H
InChIKeyCNMWJUYKTKVMFY-UHFFFAOYSA-N
XLogP9.56
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.06
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-dibenzothiophen-4-ylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850283
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425260
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425247
2-chloro-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 118539812
2-(4-dibenzothiophen-4-yl-3-phenylphenyl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 163619693
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[8-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 155329887
2-dibenzothiophen-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850235
2-dibenzothiophen-4-yl-4-[4-[4-[4-[3-[4-dibenzothiophen-4-yl-6-[4-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-yl]-1,3,5-triazin-2-yl]phenyl]-2-phenylphenyl]phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 139442123
2-dibenzothiophen-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 147261190
2-[3-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 122679618
2-chloro-4-dibenzothiophen-4-yl-6-(5-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 177278899
2-dibenzothiophen-4-yl-4-phenyl-6-[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155763972

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(4-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine (CID 156828340) is 2-chloro-4-(4-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(4-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(4-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine is Clc1nc(-c2ccc(-c3cccc4c3sc3ccccc34)cc2)nc(-c2cccc(-c3ccccc3)c2)n1.
What is the InChIKey of 2-chloro-4-(4-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is CNMWJUYKTKVMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20ClN3S/c34-33-36-31(35-32(37-33)25-11-6-10-24(20-25)21-8-2-1-3-9-21)23-18-16-22(17-19-23)26-13-7-14-28-27-12-4-5-15-29(27)38-30(26)28/h1-20H.
What are the key properties of 2-chloro-4-(4-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine?
2-chloro-4-(4-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 526.06 g/mol, XLogP of 9.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 156828340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).