2-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)-6,7-dihydrodibenzothiophen-1-yl]-1,3,5-triazine

C51H33N3S2 — CID 134198534

IUPAC2-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)-6,7-dihydrodibenzothiophen-1-yl]-1,3,5-triazine
SMILESC1=C(c2ccc(-c3ccccc3)cc2)CCc2sc3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)n4)c3c21
InChIInChI=1S/C51H33N3S2/c1-3-10-32(11-4-1)33-18-20-34(21-19-33)39-27-29-46-43(31-39)48-41(15-9-17-47(48)56-46)51-53-49(36-12-5-2-6-13-36)52-50(54-51)37-24-22-35(23-25-37)38-26-28-45-42(30-38)40-14-7-8-16-44(40)55-45/h1-26,28,30-31H,27,29H2
InChIKeyKRSHSKZKTIQHSA-UHFFFAOYSA-N
MW751.98 g/mol
LogP14.28
Rot. Bonds6

About 2-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)-6,7-dihydrodibenzothiophen-1-yl]-1,3,5-triazine

2-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)-6,7-dihydrodibenzothiophen-1-yl]-1,3,5-triazine (PubChem CID 134198534) has the molecular formula C51H33N3S2 and a molecular weight of 751.98 g/mol. Its IUPAC name is 2-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)-6,7-dihydrodibenzothiophen-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)-6,7-dihydrodibenzothiophen-1-yl]-1,3,5-triazine
PubChem CID134198534
Molecular FormulaC51H33N3S2
Molecular Weight751.98 g/mol
Exact Mass751.21
IUPAC Name2-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)-6,7-dihydrodibenzothiophen-1-yl]-1,3,5-triazine
SMILESC1=C(c2ccc(-c3ccccc3)cc2)CCc2sc3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)n4)c3c21
InChIInChI=1S/C51H33N3S2/c1-3-10-32(11-4-1)33-18-20-34(21-19-33)39-27-29-46-43(31-39)48-41(15-9-17-47(48)56-46)51-53-49(36-12-5-2-6-13-36)52-50(54-51)37-24-22-35(23-25-37)38-26-28-45-42(30-38)40-14-7-8-16-44(40)55-45/h1-26,28,30-31H,27,29H2
InChIKeyKRSHSKZKTIQHSA-UHFFFAOYSA-N
XLogP14.28
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.98
LogP ≤ 514.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)-6,7-dihydrodibenzothiophen-1-yl]-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-dibenzothiophen-2-yl-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050063
2,4-diphenyl-6-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199031
2,4-di(dibenzothiophen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 139304948
2-[4-(3-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 171402433
2-dibenzothiophen-2-yl-4-phenyl-6-[4-[8-(3-phenylphenyl)dibenzothiophen-1-yl]phenyl]-1,3,5-triazine
CID 140946842
2,4-diphenyl-6-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[4-[4-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 159903091
2,4-diphenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 140946773
2-[4-[4-(4-dibenzothiophen-1-ylphenyl)naphthalen-1-yl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-[4-[4-(4-dibenzothiophen-1-ylphenyl)naphthalen-1-yl]phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-[4-[4-(4-dibenzothiophen-2-ylphenyl)naphthalen-1-yl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-[4-[4-(4-dibenzothiophen-2-ylphenyl)naphthalen-1-yl]phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167580136
2-(3-dibenzothiophen-3-ylphenyl)-4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199446
2-dibenzothiophen-1-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzothiophen-1-yl)phenyl]-1,3,5-triazine
CID 134199441
2,4-bis(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 163871396
2-[8-(3,4-diphenylphenyl)dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 134198722

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)-6,7-dihydrodibenzothiophen-1-yl]-1,3,5-triazine?
The IUPAC name of 2-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)-6,7-dihydrodibenzothiophen-1-yl]-1,3,5-triazine (CID 134198534) is 2-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)-6,7-dihydrodibenzothiophen-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)-6,7-dihydrodibenzothiophen-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)-6,7-dihydrodibenzothiophen-1-yl]-1,3,5-triazine is C1=C(c2ccc(-c3ccccc3)cc2)CCc2sc3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)n4)c3c21.
What is the InChIKey of 2-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)-6,7-dihydrodibenzothiophen-1-yl]-1,3,5-triazine?
The InChIKey is KRSHSKZKTIQHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3S2/c1-3-10-32(11-4-1)33-18-20-34(21-19-33)39-27-29-46-43(31-39)48-41(15-9-17-47(48)56-46)51-53-49(36-12-5-2-6-13-36)52-50(54-51)37-24-22-35(23-25-37)38-26-28-45-42(30-38)40-14-7-8-16-44(40)55-45/h1-26,28,30-31H,27,29H2.
What are the key properties of 2-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)-6,7-dihydrodibenzothiophen-1-yl]-1,3,5-triazine?
2-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)-6,7-dihydrodibenzothiophen-1-yl]-1,3,5-triazine has a molecular weight of 751.98 g/mol, XLogP of 14.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)-6,7-dihydrodibenzothiophen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 134198534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).