6-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole

C38H23NS2 — CID 164828021

IUPAC6-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3sc4c(-c5ccccc5-c5cccc6sc7ccccc7c56)cccc4c32)cc1
InChIInChI=1S/C38H23NS2/c1-2-12-24(13-3-1)39-32-21-8-6-16-29(32)38-36(39)31-20-10-19-28(37(31)41-38)26-15-5-4-14-25(26)27-18-11-23-34-35(27)30-17-7-9-22-33(30)40-34/h1-23H
InChIKeyGPDKSMDMTJELBI-UHFFFAOYSA-N
MW557.74 g/mol
LogP11.70
Rot. Bonds3

About 6-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole

6-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole (PubChem CID 164828021) has the molecular formula C38H23NS2 and a molecular weight of 557.74 g/mol. Its IUPAC name is 6-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole.

Molecular Properties

Compound Name6-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
PubChem CID164828021
Molecular FormulaC38H23NS2
Molecular Weight557.74 g/mol
Exact Mass557.13
IUPAC Name6-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3sc4c(-c5ccccc5-c5cccc6sc7ccccc7c56)cccc4c32)cc1
InChIInChI=1S/C38H23NS2/c1-2-12-24(13-3-1)39-32-21-8-6-16-29(32)38-36(39)31-20-10-19-28(37(31)41-38)26-15-5-4-14-25(26)27-18-11-23-34-35(27)30-17-7-9-22-33(30)40-34/h1-23H
InChIKeyGPDKSMDMTJELBI-UHFFFAOYSA-N
XLogP11.70
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.74
LogP ≤ 511.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827905
6-(2-dibenzothiophen-2-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828379
6-(2-dibenzofuran-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828585
1-dibenzothiophen-1-yl-9-phenylcarbazole
CID 137466628
9-(4-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828100
8-dibenzothiophen-1-yl-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828230
10-phenyl-9-[2-(9-phenylcarbazol-1-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164828067
6-[1-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-1-yl]dibenzothiophen-4-yl]-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828377
10-phenyl-9-[2-(8-phenyldibenzothiophen-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164827847
10-phenyl-6-[6-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]indole
CID 164828249
9-(2-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827815
6-dibenzothiophen-1-yl-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164827737

Frequently Asked Questions

What is the IUPAC name of 6-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
The IUPAC name of 6-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole (CID 164828021) is 6-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole.
What is the SMILES notation for 6-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
The canonical SMILES for 6-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole is c1ccc(-n2c3ccccc3c3sc4c(-c5ccccc5-c5cccc6sc7ccccc7c56)cccc4c32)cc1.
What is the InChIKey of 6-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
The InChIKey is GPDKSMDMTJELBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23NS2/c1-2-12-24(13-3-1)39-32-21-8-6-16-29(32)38-36(39)31-20-10-19-28(37(31)41-38)26-15-5-4-14-25(26)27-18-11-23-34-35(27)30-17-7-9-22-33(30)40-34/h1-23H.
What are the key properties of 6-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
6-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole has a molecular weight of 557.74 g/mol, XLogP of 11.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole is sourced from PubChem (CID 164828021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).