8-dibenzothiophen-1-yl-10-phenyl-[1]benzothiolo[3,2-b]indole

C32H19NS2 — CID 164828230

IUPAC8-dibenzothiophen-1-yl-10-phenyl-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3sc4ccc(-c5cccc6sc7ccccc7c56)cc4c32)cc1
InChIInChI=1S/C32H19NS2/c1-2-9-21(10-3-1)33-26-14-6-4-11-23(26)32-31(33)25-19-20(17-18-28(25)35-32)22-13-8-16-29-30(22)24-12-5-7-15-27(24)34-29/h1-19H
InChIKeyQTKKHCJLFBIPIH-UHFFFAOYSA-N
MW481.65 g/mol
LogP10.03
Rot. Bonds2

About 8-dibenzothiophen-1-yl-10-phenyl-[1]benzothiolo[3,2-b]indole

8-dibenzothiophen-1-yl-10-phenyl-[1]benzothiolo[3,2-b]indole (PubChem CID 164828230) has the molecular formula C32H19NS2 and a molecular weight of 481.65 g/mol. Its IUPAC name is 8-dibenzothiophen-1-yl-10-phenyl-[1]benzothiolo[3,2-b]indole.

Molecular Properties

Compound Name8-dibenzothiophen-1-yl-10-phenyl-[1]benzothiolo[3,2-b]indole
PubChem CID164828230
Molecular FormulaC32H19NS2
Molecular Weight481.65 g/mol
Exact Mass481.10
IUPAC Name8-dibenzothiophen-1-yl-10-phenyl-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3sc4ccc(-c5cccc6sc7ccccc7c56)cc4c32)cc1
InChIInChI=1S/C32H19NS2/c1-2-9-21(10-3-1)33-26-14-6-4-11-23(26)32-31(33)25-19-20(17-18-28(25)35-32)22-13-8-16-29-30(22)24-12-5-7-15-27(24)34-29/h1-19H
InChIKeyQTKKHCJLFBIPIH-UHFFFAOYSA-N
XLogP10.03
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.65
LogP ≤ 510.03
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
9-(3-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828611
6-(2-dibenzothiophen-2-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828379
9-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827905
10-phenyl-9-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-b]indole
CID 164827876
9-(2-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827815
6-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828021
10-phenyl-9-[2-(8-phenyldibenzothiophen-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164827847
7-(2-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828047
9-(2-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827777
9-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828049
7-(4-dibenzothiophen-2-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828540

Frequently Asked Questions

What is the IUPAC name of 8-dibenzothiophen-1-yl-10-phenyl-[1]benzothiolo[3,2-b]indole?
The IUPAC name of 8-dibenzothiophen-1-yl-10-phenyl-[1]benzothiolo[3,2-b]indole (CID 164828230) is 8-dibenzothiophen-1-yl-10-phenyl-[1]benzothiolo[3,2-b]indole.
What is the SMILES notation for 8-dibenzothiophen-1-yl-10-phenyl-[1]benzothiolo[3,2-b]indole?
The canonical SMILES for 8-dibenzothiophen-1-yl-10-phenyl-[1]benzothiolo[3,2-b]indole is c1ccc(-n2c3ccccc3c3sc4ccc(-c5cccc6sc7ccccc7c56)cc4c32)cc1.
What is the InChIKey of 8-dibenzothiophen-1-yl-10-phenyl-[1]benzothiolo[3,2-b]indole?
The InChIKey is QTKKHCJLFBIPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19NS2/c1-2-9-21(10-3-1)33-26-14-6-4-11-23(26)32-31(33)25-19-20(17-18-28(25)35-32)22-13-8-16-29-30(22)24-12-5-7-15-27(24)34-29/h1-19H.
What are the key properties of 8-dibenzothiophen-1-yl-10-phenyl-[1]benzothiolo[3,2-b]indole?
8-dibenzothiophen-1-yl-10-phenyl-[1]benzothiolo[3,2-b]indole has a molecular weight of 481.65 g/mol, XLogP of 10.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-dibenzothiophen-1-yl-10-phenyl-[1]benzothiolo[3,2-b]indole is sourced from PubChem (CID 164828230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).