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

C38H23NOS — CID 164828585

IUPAC6-(2-dibenzofuran-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3sc4c(-c5ccccc5-c5cccc6oc7ccccc7c56)cccc4c32)cc1
InChIInChI=1S/C38H23NOS/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
InChIKeyYASJWYIQHRXORY-UHFFFAOYSA-N
MW541.68 g/mol
LogP11.23
Rot. Bonds3

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

6-(2-dibenzofuran-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole (PubChem CID 164828585) has the molecular formula C38H23NOS and a molecular weight of 541.68 g/mol. Its IUPAC name is 6-(2-dibenzofuran-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole.

Molecular Properties

Compound Name6-(2-dibenzofuran-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
PubChem CID164828585
Molecular FormulaC38H23NOS
Molecular Weight541.68 g/mol
Exact Mass541.15
IUPAC Name6-(2-dibenzofuran-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3sc4c(-c5ccccc5-c5cccc6oc7ccccc7c56)cccc4c32)cc1
InChIInChI=1S/C38H23NOS/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
InChIKeyYASJWYIQHRXORY-UHFFFAOYSA-N
XLogP11.23
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.68
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828021
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-dibenzofuran-1-yl-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828494
10-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164828402
6-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828236
9-dibenzofuran-4-yl-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827732
9-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 146532916
5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 146532915
10-phenyl-6-[4-(8-phenyldibenzofuran-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164828134
6-(2-dibenzothiophen-2-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828379
7-(2-dibenzofuran-1-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828561
N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]dibenzofuran-1-amine
CID 156666949

Frequently Asked Questions

What is the IUPAC name of 6-(2-dibenzofuran-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
The IUPAC name of 6-(2-dibenzofuran-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole (CID 164828585) is 6-(2-dibenzofuran-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole.
What is the SMILES notation for 6-(2-dibenzofuran-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
The canonical SMILES for 6-(2-dibenzofuran-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole is c1ccc(-n2c3ccccc3c3sc4c(-c5ccccc5-c5cccc6oc7ccccc7c56)cccc4c32)cc1.
What is the InChIKey of 6-(2-dibenzofuran-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
The InChIKey is YASJWYIQHRXORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23NOS/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-dibenzofuran-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
6-(2-dibenzofuran-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole has a molecular weight of 541.68 g/mol, XLogP of 11.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-dibenzofuran-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole is sourced from PubChem (CID 164828585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).