2,7-di(dibenzothiophen-3-yl)-[1]benzothiolo[3,2-b][1]benzofuran

C38H20OS3 — CID 147991846

IUPAC2,7-di(dibenzothiophen-3-yl)-[1]benzothiolo[3,2-b][1]benzofuran
SMILESc1ccc2c(c1)sc1cc(-c3ccc4c(c3)oc3c5ccc(-c6ccc7c(c6)sc6ccccc67)cc5sc43)ccc12
InChIInChI=1S/C38H20OS3/c1-3-7-32-25(5-1)27-13-9-22(18-34(27)40-32)21-11-15-29-31(17-21)39-37-30-16-12-24(20-36(30)42-38(29)37)23-10-14-28-26-6-2-4-8-33(26)41-35(28)19-23/h1-20H
InChIKeyIVFPAZIMOHPAED-UHFFFAOYSA-N
MW588.78 g/mol
LogP12.87
Rot. Bonds2

About 2,7-di(dibenzothiophen-3-yl)-[1]benzothiolo[3,2-b][1]benzofuran

2,7-di(dibenzothiophen-3-yl)-[1]benzothiolo[3,2-b][1]benzofuran (PubChem CID 147991846) has the molecular formula C38H20OS3 and a molecular weight of 588.78 g/mol. Its IUPAC name is 2,7-di(dibenzothiophen-3-yl)-[1]benzothiolo[3,2-b][1]benzofuran.

Molecular Properties

Compound Name2,7-di(dibenzothiophen-3-yl)-[1]benzothiolo[3,2-b][1]benzofuran
PubChem CID147991846
Molecular FormulaC38H20OS3
Molecular Weight588.78 g/mol
Exact Mass588.07
IUPAC Name2,7-di(dibenzothiophen-3-yl)-[1]benzothiolo[3,2-b][1]benzofuran
SMILESc1ccc2c(c1)sc1cc(-c3ccc4c(c3)oc3c5ccc(-c6ccc7c(c6)sc6ccccc67)cc5sc43)ccc12
InChIInChI=1S/C38H20OS3/c1-3-7-32-25(5-1)27-13-9-22(18-34(27)40-32)21-11-15-29-31(17-21)39-37-30-16-12-24(20-36(30)42-38(29)37)23-10-14-28-26-6-2-4-8-33(26)41-35(28)19-23/h1-20H
InChIKeyIVFPAZIMOHPAED-UHFFFAOYSA-N
XLogP12.87
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.78
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,7-di(dibenzothiophen-3-yl)-[1]benzothiolo[3,2-b][1]benzofuran 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

7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzothiolo[3,2-b][1]benzofuran
CID 166872779
6,18-diphenyl-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
CID 135242841
N-dibenzothiophen-3-yl-N-phenyl-[1]benzothiolo[3,2-b][1]benzofuran-2-amine
CID 155135327
9-(7-dibenzothiophen-3-yldibenzofuran-4-yl)carbazole
CID 170284863
7-dibenzothiophen-3-yl-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828059
6,18-di(anthracen-2-yl)-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
CID 135242880
2-dibenzothiophen-3-yl-4-(7-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155380197
2-[4-(3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14(19),15,17-nonaen-16-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14(19),15,17-nonaen-17-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 167698490
2-(4-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850276
1-dibenzothiophen-4-yl-7-[7-[8-(6-dibenzothiophen-1-yldibenzofuran-4-yl)dibenzofuran-4-yl]dibenzothiophen-3-yl]dibenzofuran
CID 137466636
3-[9-(3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-6-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142497220
2-dibenzofuran-3-yl-4-dibenzothiophen-3-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 154934275

Frequently Asked Questions

What is the IUPAC name of 2,7-di(dibenzothiophen-3-yl)-[1]benzothiolo[3,2-b][1]benzofuran?
The IUPAC name of 2,7-di(dibenzothiophen-3-yl)-[1]benzothiolo[3,2-b][1]benzofuran (CID 147991846) is 2,7-di(dibenzothiophen-3-yl)-[1]benzothiolo[3,2-b][1]benzofuran.
What is the SMILES notation for 2,7-di(dibenzothiophen-3-yl)-[1]benzothiolo[3,2-b][1]benzofuran?
The canonical SMILES for 2,7-di(dibenzothiophen-3-yl)-[1]benzothiolo[3,2-b][1]benzofuran is c1ccc2c(c1)sc1cc(-c3ccc4c(c3)oc3c5ccc(-c6ccc7c(c6)sc6ccccc67)cc5sc43)ccc12.
What is the InChIKey of 2,7-di(dibenzothiophen-3-yl)-[1]benzothiolo[3,2-b][1]benzofuran?
The InChIKey is IVFPAZIMOHPAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20OS3/c1-3-7-32-25(5-1)27-13-9-22(18-34(27)40-32)21-11-15-29-31(17-21)39-37-30-16-12-24(20-36(30)42-38(29)37)23-10-14-28-26-6-2-4-8-33(26)41-35(28)19-23/h1-20H.
What are the key properties of 2,7-di(dibenzothiophen-3-yl)-[1]benzothiolo[3,2-b][1]benzofuran?
2,7-di(dibenzothiophen-3-yl)-[1]benzothiolo[3,2-b][1]benzofuran has a molecular weight of 588.78 g/mol, XLogP of 12.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-di(dibenzothiophen-3-yl)-[1]benzothiolo[3,2-b][1]benzofuran is sourced from PubChem (CID 147991846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).