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

C51H33N3S2 — CID 170367880

IUPAC2-[2-[3-dibenzothiophen-3-yl-5-(6,7-dihydrodibenzothiophen-1-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESC1=Cc2c(sc3cccc(-c4cc(-c5ccc6c(c5)sc5ccccc56)cc(-c5ccccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c23)CC1
InChIInChI=1S/C51H33N3S2/c1-3-14-32(15-4-1)49-52-50(33-16-5-2-6-17-33)54-51(53-49)42-20-8-7-18-38(42)36-28-35(34-26-27-41-40-19-9-11-23-44(40)56-47(41)31-34)29-37(30-36)39-22-13-25-46-48(39)43-21-10-12-24-45(43)55-46/h1-11,13-23,25-31H,12,24H2
InChIKeyBBGRAAJHVYHBLS-UHFFFAOYSA-N
MW751.98 g/mol
LogP14.42
Rot. Bonds6

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

2-[2-[3-dibenzothiophen-3-yl-5-(6,7-dihydrodibenzothiophen-1-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 170367880) has the molecular formula C51H33N3S2 and a molecular weight of 751.98 g/mol. Its IUPAC name is 2-[2-[3-dibenzothiophen-3-yl-5-(6,7-dihydrodibenzothiophen-1-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-[3-dibenzothiophen-3-yl-5-(6,7-dihydrodibenzothiophen-1-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID170367880
Molecular FormulaC51H33N3S2
Molecular Weight751.98 g/mol
Exact Mass751.21
IUPAC Name2-[2-[3-dibenzothiophen-3-yl-5-(6,7-dihydrodibenzothiophen-1-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESC1=Cc2c(sc3cccc(-c4cc(-c5ccc6c(c5)sc5ccccc56)cc(-c5ccccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c23)CC1
InChIInChI=1S/C51H33N3S2/c1-3-14-32(15-4-1)49-52-50(33-16-5-2-6-17-33)54-51(53-49)42-20-8-7-18-38(42)36-28-35(34-26-27-41-40-19-9-11-23-44(40)56-47(41)31-34)29-37(30-36)39-22-13-25-46-48(39)43-21-10-12-24-45(43)55-46/h1-11,13-23,25-31H,12,24H2
InChIKeyBBGRAAJHVYHBLS-UHFFFAOYSA-N
XLogP14.42
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 ≤ 514.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-[3-dibenzothiophen-3-yl-5-(6,7-dihydrodibenzothiophen-1-yl)phenyl]phenyl]-4,6-diphenyl-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-[4-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942425
2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 139305041
2-[4-(3-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 171402433
2-(3-dibenzothiophen-3-ylphenyl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942654
2-(3-dibenzothiophen-3-ylphenyl)-4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199446
2-(2-dibenzothiophen-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146251324
2-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942605
2-dibenzothiophen-3-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzothiophen-1-yl)phenyl]-1,3,5-triazine
CID 140946712
2-(3-dibenzothiophen-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-2-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-3-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 161029861
2-(3-dibenzothiophen-1-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-2-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-3-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167660422
2-[3,5-di(dibenzothiophen-3-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 163752158
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-dibenzothiophen-3-yl-5-(6,7-dihydrodibenzothiophen-1-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[2-[3-dibenzothiophen-3-yl-5-(6,7-dihydrodibenzothiophen-1-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 170367880) is 2-[2-[3-dibenzothiophen-3-yl-5-(6,7-dihydrodibenzothiophen-1-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[2-[3-dibenzothiophen-3-yl-5-(6,7-dihydrodibenzothiophen-1-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[2-[3-dibenzothiophen-3-yl-5-(6,7-dihydrodibenzothiophen-1-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is C1=Cc2c(sc3cccc(-c4cc(-c5ccc6c(c5)sc5ccccc56)cc(-c5ccccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c23)CC1.
What is the InChIKey of 2-[2-[3-dibenzothiophen-3-yl-5-(6,7-dihydrodibenzothiophen-1-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is BBGRAAJHVYHBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3S2/c1-3-14-32(15-4-1)49-52-50(33-16-5-2-6-17-33)54-51(53-49)42-20-8-7-18-38(42)36-28-35(34-26-27-41-40-19-9-11-23-44(40)56-47(41)31-34)29-37(30-36)39-22-13-25-46-48(39)43-21-10-12-24-45(43)55-46/h1-11,13-23,25-31H,12,24H2.
What are the key properties of 2-[2-[3-dibenzothiophen-3-yl-5-(6,7-dihydrodibenzothiophen-1-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[2-[3-dibenzothiophen-3-yl-5-(6,7-dihydrodibenzothiophen-1-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 751.98 g/mol, XLogP of 14.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-dibenzothiophen-3-yl-5-(6,7-dihydrodibenzothiophen-1-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 170367880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).