4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine

C51H33N3S — CID 166134551

IUPAC4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)nnnc2-c2cccc(-c3ccccc3)c2-c2c(-c3ccccc3)ccc3sc4ccccc4c23)cc1
InChIInChI=1S/C51H33N3S/c1-5-18-34(19-6-1)38-26-13-14-27-41(38)49-50(37-24-11-4-12-25-37)52-54-53-51(49)43-30-17-29-39(35-20-7-2-8-21-35)46(43)48-40(36-22-9-3-10-23-36)32-33-45-47(48)42-28-15-16-31-44(42)55-45/h1-33H
InChIKeyJFMWXJOFGCEOBA-UHFFFAOYSA-N
MW719.91 g/mol
LogP13.91
Rot. Bonds7

About 4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine

4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine (PubChem CID 166134551) has the molecular formula C51H33N3S and a molecular weight of 719.91 g/mol. Its IUPAC name is 4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine.

Molecular Properties

Compound Name4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine
PubChem CID166134551
Molecular FormulaC51H33N3S
Molecular Weight719.91 g/mol
Exact Mass719.24
IUPAC Name4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)nnnc2-c2cccc(-c3ccccc3)c2-c2c(-c3ccccc3)ccc3sc4ccccc4c23)cc1
InChIInChI=1S/C51H33N3S/c1-5-18-34(19-6-1)38-26-13-14-27-41(38)49-50(37-24-11-4-12-25-37)52-54-53-51(49)43-30-17-29-39(35-20-7-2-8-21-35)46(43)48-40(36-22-9-3-10-23-36)32-33-45-47(48)42-28-15-16-31-44(42)55-45/h1-33H
InChIKeyJFMWXJOFGCEOBA-UHFFFAOYSA-N
XLogP13.91
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.91
LogP ≤ 513.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine
CID 172700237
4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine
CID 166134291
4,5-diphenyl-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine
CID 166133527
4,5-diphenyl-6-[2-(1-phenyldibenzothiophen-2-yl)phenyl]triazine
CID 166135108
4-phenyl-6-[2-phenyl-6-(2-phenyldibenzothiophen-1-yl)phenyl]-5-pyridin-2-yltriazine
CID 175803574
4-[2-dibenzothiophen-1-yl-3-(2-phenylphenyl)phenyl]-5-phenyl-6-(2-phenylphenyl)triazine
CID 166133514
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine
CID 166134087
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine
CID 166134723
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine
CID 166133543
2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]pyridine
CID 175869357
4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)phenyl]triazine
CID 171060190
4-phenyl-5-(2-phenylphenyl)-6-[1-(2-phenylphenyl)dibenzofuran-2-yl]triazine
CID 166133631

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine?
The IUPAC name of 4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine (CID 166134551) is 4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine.
What is the SMILES notation for 4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine?
The canonical SMILES for 4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine is c1ccc(-c2ccccc2-c2c(-c3ccccc3)nnnc2-c2cccc(-c3ccccc3)c2-c2c(-c3ccccc3)ccc3sc4ccccc4c23)cc1.
What is the InChIKey of 4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine?
The InChIKey is JFMWXJOFGCEOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3S/c1-5-18-34(19-6-1)38-26-13-14-27-41(38)49-50(37-24-11-4-12-25-37)52-54-53-51(49)43-30-17-29-39(35-20-7-2-8-21-35)46(43)48-40(36-22-9-3-10-23-36)32-33-45-47(48)42-28-15-16-31-44(42)55-45/h1-33H.
What are the key properties of 4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine?
4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine has a molecular weight of 719.91 g/mol, XLogP of 13.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine is sourced from PubChem (CID 166134551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).