4,5-diphenyl-6-[2-(1-phenyldibenzothiophen-2-yl)phenyl]triazine

C39H25N3S — CID 166135108

IUPAC4,5-diphenyl-6-[2-(1-phenyldibenzothiophen-2-yl)phenyl]triazine
SMILESc1ccc(-c2nnnc(-c3ccccc3-c3ccc4sc5ccccc5c4c3-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C39H25N3S/c1-4-14-26(15-5-1)35-30(24-25-34-37(35)32-22-12-13-23-33(32)43-34)29-20-10-11-21-31(29)39-36(27-16-6-2-7-17-27)38(40-42-41-39)28-18-8-3-9-19-28/h1-25H
InChIKeyHLKVOMQIKGZYGO-UHFFFAOYSA-N
MW567.72 g/mol
LogP10.57
Rot. Bonds5

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

4,5-diphenyl-6-[2-(1-phenyldibenzothiophen-2-yl)phenyl]triazine (PubChem CID 166135108) has the molecular formula C39H25N3S and a molecular weight of 567.72 g/mol. Its IUPAC name is 4,5-diphenyl-6-[2-(1-phenyldibenzothiophen-2-yl)phenyl]triazine.

Molecular Properties

Compound Name4,5-diphenyl-6-[2-(1-phenyldibenzothiophen-2-yl)phenyl]triazine
PubChem CID166135108
Molecular FormulaC39H25N3S
Molecular Weight567.72 g/mol
Exact Mass567.18
IUPAC Name4,5-diphenyl-6-[2-(1-phenyldibenzothiophen-2-yl)phenyl]triazine
SMILESc1ccc(-c2nnnc(-c3ccccc3-c3ccc4sc5ccccc5c4c3-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C39H25N3S/c1-4-14-26(15-5-1)35-30(24-25-34-37(35)32-22-12-13-23-33(32)43-34)29-20-10-11-21-31(29)39-36(27-16-6-2-7-17-27)38(40-42-41-39)28-18-8-3-9-19-28/h1-25H
InChIKeyHLKVOMQIKGZYGO-UHFFFAOYSA-N
XLogP10.57
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.72
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-diphenyl-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine
CID 166133527
4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine
CID 166134291
4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine
CID 172700237
4-[2-dibenzothiophen-1-yl-3-(2-phenylphenyl)phenyl]-5-phenyl-6-(2-phenylphenyl)triazine
CID 166133514
4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine
CID 166134551
4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-(1-phenyldibenzoselenophen-2-yl)triazine
CID 175594593
4-phenyl-6-[2-phenyl-6-(2-phenyldibenzothiophen-1-yl)phenyl]-5-pyridin-2-yltriazine
CID 175803574
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine
CID 166133543
2-(5,6-diphenyltriazin-4-yl)-1H-[1]benzothiolo[2,3-g]indole
CID 166134034
1-phenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene
CID 174292374
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine
CID 166134087
4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine
CID 175594594

Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-6-[2-(1-phenyldibenzothiophen-2-yl)phenyl]triazine?
The IUPAC name of 4,5-diphenyl-6-[2-(1-phenyldibenzothiophen-2-yl)phenyl]triazine (CID 166135108) is 4,5-diphenyl-6-[2-(1-phenyldibenzothiophen-2-yl)phenyl]triazine.
What is the SMILES notation for 4,5-diphenyl-6-[2-(1-phenyldibenzothiophen-2-yl)phenyl]triazine?
The canonical SMILES for 4,5-diphenyl-6-[2-(1-phenyldibenzothiophen-2-yl)phenyl]triazine is c1ccc(-c2nnnc(-c3ccccc3-c3ccc4sc5ccccc5c4c3-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 4,5-diphenyl-6-[2-(1-phenyldibenzothiophen-2-yl)phenyl]triazine?
The InChIKey is HLKVOMQIKGZYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3S/c1-4-14-26(15-5-1)35-30(24-25-34-37(35)32-22-12-13-23-33(32)43-34)29-20-10-11-21-31(29)39-36(27-16-6-2-7-17-27)38(40-42-41-39)28-18-8-3-9-19-28/h1-25H.
What are the key properties of 4,5-diphenyl-6-[2-(1-phenyldibenzothiophen-2-yl)phenyl]triazine?
4,5-diphenyl-6-[2-(1-phenyldibenzothiophen-2-yl)phenyl]triazine has a molecular weight of 567.72 g/mol, XLogP of 10.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-6-[2-(1-phenyldibenzothiophen-2-yl)phenyl]triazine is sourced from PubChem (CID 166135108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).