2-dibenzothiophen-4-yl-3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline

C57H35N3S2 — CID 164716166

IUPAC2-dibenzothiophen-4-yl-3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5c(-c6cccc7c6sc6ccccc67)sc6c5c(-c5ccccc5)nc5ccccc56)c4)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C57H35N3S2/c1-4-17-36(18-5-1)48-35-49(60-57(59-48)38-21-8-3-9-22-38)41-25-14-23-39(33-41)40-24-15-26-42(34-40)51-52-53(37-19-6-2-7-20-37)58-47-31-12-10-28-45(47)55(52)62-56(51)46-30-16-29-44-43-27-11-13-32-50(43)61-54(44)46/h1-35H
InChIKeyPMGGOSSFHZNJES-UHFFFAOYSA-N
MW826.06 g/mol
LogP16.28
Rot. Bonds7

About 2-dibenzothiophen-4-yl-3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline

2-dibenzothiophen-4-yl-3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline (PubChem CID 164716166) has the molecular formula C57H35N3S2 and a molecular weight of 826.06 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline
PubChem CID164716166
Molecular FormulaC57H35N3S2
Molecular Weight826.06 g/mol
Exact Mass825.23
IUPAC Name2-dibenzothiophen-4-yl-3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5c(-c6cccc7c6sc6ccccc67)sc6c5c(-c5ccccc5)nc5ccccc56)c4)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C57H35N3S2/c1-4-17-36(18-5-1)48-35-49(60-57(59-48)38-21-8-3-9-22-38)41-25-14-23-39(33-41)40-24-15-26-42(34-40)51-52-53(37-19-6-2-7-20-37)58-47-31-12-10-28-45(47)55(52)62-56(51)46-30-16-29-44-43-27-11-13-32-50(43)61-54(44)46/h1-35H
InChIKeyPMGGOSSFHZNJES-UHFFFAOYSA-N
XLogP16.28
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.06
LogP ≤ 516.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-dibenzothiophen-4-yl-3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline 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-4-yl-1-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylthieno[2,3-c]quinoline
CID 164716901
2,4-diphenyl-3-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline;3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylthieno[3,2-c]quinoline;3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,4-diphenylthieno[3,2-c]quinoline
CID 165020295
2-(3,5-diphenylphenyl)-3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-phenylthieno[3,2-c]quinoline;2-(3,5-diphenylphenyl)-3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline;2-(3,5-diphenylphenyl)-3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline
CID 165029552
4-phenyl-2-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-3-triphenylen-2-ylthieno[3,2-c]quinoline
CID 164716121
2-dibenzothiophen-4-yl-3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline;2-dibenzothiophen-4-yl-3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylthieno[3,2-c]quinoline;2-dibenzothiophen-4-yl-4-phenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]thieno[3,2-c]quinoline
CID 165065646
2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;3,4-diphenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline
CID 165093225
3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-phenyl-2-triphenylen-2-ylthieno[3,2-c]quinoline
CID 164716116
6-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 129085889
4-[3-dibenzothiophen-4-yl-5-(3-dibenzothiophen-4-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171585763
14-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123339
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)thieno[3,2-c]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)thieno[3,2-c]quinoline;4-phenyl-2-(3-phenylphenyl)-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline
CID 164971665
2-dibenzofuran-4-yl-3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-phenylthieno[3,2-c]quinoline;2-dibenzofuran-4-yl-3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline;2-dibenzofuran-4-yl-3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline
CID 165079742

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline?
The IUPAC name of 2-dibenzothiophen-4-yl-3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline (CID 164716166) is 2-dibenzothiophen-4-yl-3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline.
What is the SMILES notation for 2-dibenzothiophen-4-yl-3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline?
The canonical SMILES for 2-dibenzothiophen-4-yl-3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline is c1ccc(-c2cc(-c3cccc(-c4cccc(-c5c(-c6cccc7c6sc6ccccc67)sc6c5c(-c5ccccc5)nc5ccccc56)c4)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-dibenzothiophen-4-yl-3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline?
The InChIKey is PMGGOSSFHZNJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3S2/c1-4-17-36(18-5-1)48-35-49(60-57(59-48)38-21-8-3-9-22-38)41-25-14-23-39(33-41)40-24-15-26-42(34-40)51-52-53(37-19-6-2-7-20-37)58-47-31-12-10-28-45(47)55(52)62-56(51)46-30-16-29-44-43-27-11-13-32-50(43)61-54(44)46/h1-35H.
What are the key properties of 2-dibenzothiophen-4-yl-3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline?
2-dibenzothiophen-4-yl-3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline has a molecular weight of 826.06 g/mol, XLogP of 16.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline is sourced from PubChem (CID 164716166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).