9-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole

C38H23NS2 — CID 164827905

IUPAC9-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3sc4cccc(-c5ccccc5-c5cccc6sc7ccccc7c56)c4c32)cc1
InChIInChI=1S/C38H23NS2/c1-2-12-24(13-3-1)39-31-20-8-6-16-29(31)38-37(39)36-28(19-11-23-34(36)41-38)26-15-5-4-14-25(26)27-18-10-22-33-35(27)30-17-7-9-21-32(30)40-33/h1-23H
InChIKeyQUQLIKYEIADEAS-UHFFFAOYSA-N
MW557.74 g/mol
LogP11.70
Rot. Bonds3

About 9-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole

9-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole (PubChem CID 164827905) has the molecular formula C38H23NS2 and a molecular weight of 557.74 g/mol. Its IUPAC name is 9-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole.

Molecular Properties

Compound Name9-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
PubChem CID164827905
Molecular FormulaC38H23NS2
Molecular Weight557.74 g/mol
Exact Mass557.13
IUPAC Name9-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3sc4cccc(-c5ccccc5-c5cccc6sc7ccccc7c56)c4c32)cc1
InChIInChI=1S/C38H23NS2/c1-2-12-24(13-3-1)39-31-20-8-6-16-29(31)38-37(39)36-28(19-11-23-34(36)41-38)26-15-5-4-14-25(26)27-18-10-22-33-35(27)30-17-7-9-21-32(30)40-33/h1-23H
InChIKeyQUQLIKYEIADEAS-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-(4-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828100
10-phenyl-9-[2-(9-phenylcarbazol-1-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164828067
6-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828021
9-(2-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827815
1-dibenzothiophen-1-yl-9-phenylcarbazole
CID 137466628
10-phenyl-9-[2-(8-phenyldibenzothiophen-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164827847
8-dibenzothiophen-1-yl-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828230
10-phenyl-9-(10-phenylanthracen-9-yl)-[1]benzothiolo[3,2-b]indole
CID 166872391
9-(2-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827777
9-(3-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828611
9-dibenzofuran-4-yl-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827732
10-phenyl-9-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-b]indole
CID 164827876

Frequently Asked Questions

What is the IUPAC name of 9-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
The IUPAC name of 9-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole (CID 164827905) is 9-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole.
What is the SMILES notation for 9-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
The canonical SMILES for 9-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole is c1ccc(-n2c3ccccc3c3sc4cccc(-c5ccccc5-c5cccc6sc7ccccc7c56)c4c32)cc1.
What is the InChIKey of 9-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
The InChIKey is QUQLIKYEIADEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23NS2/c1-2-12-24(13-3-1)39-31-20-8-6-16-29(31)38-37(39)36-28(19-11-23-34(36)41-38)26-15-5-4-14-25(26)27-18-10-22-33-35(27)30-17-7-9-21-32(30)40-33/h1-23H.
What are the key properties of 9-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
9-(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 9-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole is sourced from PubChem (CID 164827905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).