2-[4-(4-chlorophenyl)phenyl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine

C33H20ClN3S — CID 166916860

IUPAC2-[4-(4-chlorophenyl)phenyl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
SMILESClc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5sc6ccccc6c45)n3)cc2)cc1
InChIInChI=1S/C33H20ClN3S/c34-25-19-17-22(18-20-25)21-13-15-24(16-14-21)32-35-31(23-7-2-1-3-8-23)36-33(37-32)27-10-6-12-29-30(27)26-9-4-5-11-28(26)38-29/h1-20H
InChIKeyJNDZIUGPILYAEX-UHFFFAOYSA-N
MW526.06 g/mol
LogP9.56
Rot. Bonds4

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

2-[4-(4-chlorophenyl)phenyl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine (PubChem CID 166916860) has the molecular formula C33H20ClN3S and a molecular weight of 526.06 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)phenyl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)phenyl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
PubChem CID166916860
Molecular FormulaC33H20ClN3S
Molecular Weight526.06 g/mol
Exact Mass525.11
IUPAC Name2-[4-(4-chlorophenyl)phenyl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
SMILESClc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5sc6ccccc6c45)n3)cc2)cc1
InChIInChI=1S/C33H20ClN3S/c34-25-19-17-22(18-20-25)21-13-15-24(16-14-21)32-35-31(23-7-2-1-3-8-23)36-33(37-32)27-10-6-12-29-30(27)26-9-4-5-11-28(26)38-29/h1-20H
InChIKeyJNDZIUGPILYAEX-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-di(dibenzothiophen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 139304948
2,4-bis(4-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 139304432
2,4-di(dibenzothiophen-1-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 164984529
2-dibenzothiophen-1-yl-4-(9-dibenzothiophen-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743677
2-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942605
2-dibenzothiophen-1-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 139305007
2,4-diphenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 140946773
2-[4-[4-(4-dibenzothiophen-1-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942599
2,4-diphenyl-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 155050162
2-(5-dibenzothiophen-1-yl-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine
CID 177292330
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 177119775
2-(3-dibenzothiophen-1-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 169291118

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)phenyl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[4-(4-chlorophenyl)phenyl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine (CID 166916860) is 2-[4-(4-chlorophenyl)phenyl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-(4-chlorophenyl)phenyl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-(4-chlorophenyl)phenyl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine is Clc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5sc6ccccc6c45)n3)cc2)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)phenyl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine?
The InChIKey is JNDZIUGPILYAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20ClN3S/c34-25-19-17-22(18-20-25)21-13-15-24(16-14-21)32-35-31(23-7-2-1-3-8-23)36-33(37-32)27-10-6-12-29-30(27)26-9-4-5-11-28(26)38-29/h1-20H.
What are the key properties of 2-[4-(4-chlorophenyl)phenyl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine?
2-[4-(4-chlorophenyl)phenyl]-4-dibenzothiophen-1-yl-6-phenyl-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-[4-(4-chlorophenyl)phenyl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 166916860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).