4,5-diphenyl-7-(3,4,10,11-tetraphenyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaen-12-yl)thieno[2,3-c]pyridine

C55H35NOS — CID 138971682

IUPAC4,5-diphenyl-7-(3,4,10,11-tetraphenyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaen-12-yl)thieno[2,3-c]pyridine
SMILESc1ccc(C2=C(c3ccccc3)c3cccc4c(-c5ccccc5)c(-c5ccccc5)c(-c5nc(-c6ccccc6)c(-c6ccccc6)c6ccsc56)c(c34)O2)cc1
InChIInChI=1S/C55H35NOS/c1-7-20-36(21-8-1)45-42-32-19-33-43-47(38-24-11-3-12-25-38)53(41-30-17-6-18-31-41)57-54(49(42)43)50(48(45)39-26-13-4-14-27-39)52-55-44(34-35-58-55)46(37-22-9-2-10-23-37)51(56-52)40-28-15-5-16-29-40/h1-35H
InChIKeyGHPKBIDCCOFFII-UHFFFAOYSA-N
MW757.96 g/mol
LogP15.09
Rot. Bonds7

About 4,5-diphenyl-7-(3,4,10,11-tetraphenyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaen-12-yl)thieno[2,3-c]pyridine

4,5-diphenyl-7-(3,4,10,11-tetraphenyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaen-12-yl)thieno[2,3-c]pyridine (PubChem CID 138971682) has the molecular formula C55H35NOS and a molecular weight of 757.96 g/mol. Its IUPAC name is 4,5-diphenyl-7-(3,4,10,11-tetraphenyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaen-12-yl)thieno[2,3-c]pyridine.

Molecular Properties

Compound Name4,5-diphenyl-7-(3,4,10,11-tetraphenyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaen-12-yl)thieno[2,3-c]pyridine
PubChem CID138971682
Molecular FormulaC55H35NOS
Molecular Weight757.96 g/mol
Exact Mass757.24
IUPAC Name4,5-diphenyl-7-(3,4,10,11-tetraphenyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaen-12-yl)thieno[2,3-c]pyridine
SMILESc1ccc(C2=C(c3ccccc3)c3cccc4c(-c5ccccc5)c(-c5ccccc5)c(-c5nc(-c6ccccc6)c(-c6ccccc6)c6ccsc56)c(c34)O2)cc1
InChIInChI=1S/C55H35NOS/c1-7-20-36(21-8-1)45-42-32-19-33-43-47(38-24-11-3-12-25-38)53(41-30-17-6-18-31-41)57-54(49(42)43)50(48(45)39-26-13-4-14-27-39)52-55-44(34-35-58-55)46(37-22-9-2-10-23-37)51(56-52)40-28-15-5-16-29-40/h1-35H
InChIKeyGHPKBIDCCOFFII-UHFFFAOYSA-N
XLogP15.09
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.96
LogP ≤ 515.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4,5-diphenyl-7-(3,4,10,11-tetraphenyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaen-12-yl)thieno[2,3-c]pyridine 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

4,5-diphenylthieno[3,2-g][1]benzothiole
CID 68617982
3,4,10,11-tetrakis(4-methoxyphenyl)-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaene-12-carbonitrile
CID 102306631
3,4,7,10,11-pentakis-phenyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaene-12-carbonitrile
CID 102306623
2,4-diphenyl-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 102532372
7-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzothiole
CID 176744457
8-bromo-1-methyl-3,4-diphenylisoquinoline
CID 138975285
6-methyl-3,4-diphenyl-2-(5,6,7,8-tetraphenylnaphthalen-1-yl)pyridine
CID 135022048
7-phenylthieno[2,3-c]pyridin-4-ol
CID 141186456
2,4-diphenyl-6-(4-spiro[indeno[1,2-e][1]benzothiole-6,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 167340474
19,19-dimethyl-11-(4-phenylquinazolin-2-yl)-4-thia-11-azapentacyclo[10.7.0.02,10.03,7.013,18]nonadeca-1(12),2(10),3(7),5,8,13,15,17-octaene
CID 163919445
4-dibenzofuran-4-yl-6-phenyl-2-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine
CID 167363862
1-methyl-4-phenyl-3-(5,6,7,8-tetraphenylnaphthalen-1-yl)isoquinolin-6-ol
CID 136677880

Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-7-(3,4,10,11-tetraphenyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaen-12-yl)thieno[2,3-c]pyridine?
The IUPAC name of 4,5-diphenyl-7-(3,4,10,11-tetraphenyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaen-12-yl)thieno[2,3-c]pyridine (CID 138971682) is 4,5-diphenyl-7-(3,4,10,11-tetraphenyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaen-12-yl)thieno[2,3-c]pyridine.
What is the SMILES notation for 4,5-diphenyl-7-(3,4,10,11-tetraphenyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaen-12-yl)thieno[2,3-c]pyridine?
The canonical SMILES for 4,5-diphenyl-7-(3,4,10,11-tetraphenyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaen-12-yl)thieno[2,3-c]pyridine is c1ccc(C2=C(c3ccccc3)c3cccc4c(-c5ccccc5)c(-c5ccccc5)c(-c5nc(-c6ccccc6)c(-c6ccccc6)c6ccsc56)c(c34)O2)cc1.
What is the InChIKey of 4,5-diphenyl-7-(3,4,10,11-tetraphenyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaen-12-yl)thieno[2,3-c]pyridine?
The InChIKey is GHPKBIDCCOFFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NOS/c1-7-20-36(21-8-1)45-42-32-19-33-43-47(38-24-11-3-12-25-38)53(41-30-17-6-18-31-41)57-54(49(42)43)50(48(45)39-26-13-4-14-27-39)52-55-44(34-35-58-55)46(37-22-9-2-10-23-37)51(56-52)40-28-15-5-16-29-40/h1-35H.
What are the key properties of 4,5-diphenyl-7-(3,4,10,11-tetraphenyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaen-12-yl)thieno[2,3-c]pyridine?
4,5-diphenyl-7-(3,4,10,11-tetraphenyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaen-12-yl)thieno[2,3-c]pyridine has a molecular weight of 757.96 g/mol, XLogP of 15.09, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-7-(3,4,10,11-tetraphenyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaen-12-yl)thieno[2,3-c]pyridine is sourced from PubChem (CID 138971682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).