1-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-g]indole

C32H19NS2 — CID 123380075

IUPAC1-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-g]indole
SMILESc1ccc2c(c1)sc1c(-c3ccc(-n4ccc5ccc6c7ccccc7sc6c54)cc3)cccc12
InChIInChI=1S/C32H19NS2/c1-3-10-28-24(6-1)26-9-5-8-23(31(26)34-28)20-12-15-22(16-13-20)33-19-18-21-14-17-27-25-7-2-4-11-29(25)35-32(27)30(21)33/h1-19H
InChIKeyIIEXYIVFQVOZNN-UHFFFAOYSA-N
MW481.65 g/mol
LogP10.03
Rot. Bonds2

About 1-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-g]indole

1-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-g]indole (PubChem CID 123380075) has the molecular formula C32H19NS2 and a molecular weight of 481.65 g/mol. Its IUPAC name is 1-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-g]indole.

Molecular Properties

Compound Name1-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-g]indole
PubChem CID123380075
Molecular FormulaC32H19NS2
Molecular Weight481.65 g/mol
Exact Mass481.10
IUPAC Name1-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-g]indole
SMILESc1ccc2c(c1)sc1c(-c3ccc(-n4ccc5ccc6c7ccccc7sc6c54)cc3)cccc12
InChIInChI=1S/C32H19NS2/c1-3-10-28-24(6-1)26-9-5-8-23(31(26)34-28)20-12-15-22(16-13-20)33-19-18-21-14-17-27-25-7-2-4-11-29(25)35-32(27)30(21)33/h1-19H
InChIKeyIIEXYIVFQVOZNN-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

4-(4-bromophenyl)dibenzothiophene;1-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-g]indole;1H-indeno[4,5-b][1]benzothiole
CID 159515967
1-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-10H-indeno[1,2-g]indole
CID 118316003
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
10-phenyl-1-[4-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrrolo[2,3-a]carbazole
CID 118316007
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
5,10-di(dibenzothiophen-4-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27),24-tridecaene
CID 134428261
1-(4-dibenzothiophen-4-ylphenyl)imidazole
CID 175483044
4-(4-methylphenyl)dibenzothiophene;methylphosphane
CID 142353145
4-(4-methoxyphenyl)dibenzothiophene
CID 138456987
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
4-dibenzothiophen-4-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline
CID 59022060
10-(4-dibenzothiophen-4-ylphenyl)-3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315528

Frequently Asked Questions

What is the IUPAC name of 1-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-g]indole?
The IUPAC name of 1-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-g]indole (CID 123380075) is 1-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-g]indole.
What is the SMILES notation for 1-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-g]indole?
The canonical SMILES for 1-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-g]indole is c1ccc2c(c1)sc1c(-c3ccc(-n4ccc5ccc6c7ccccc7sc6c54)cc3)cccc12.
What is the InChIKey of 1-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-g]indole?
The InChIKey is IIEXYIVFQVOZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19NS2/c1-3-10-28-24(6-1)26-9-5-8-23(31(26)34-28)20-12-15-22(16-13-20)33-19-18-21-14-17-27-25-7-2-4-11-29(25)35-32(27)30(21)33/h1-19H.
What are the key properties of 1-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-g]indole?
1-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-g]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 1-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-g]indole is sourced from PubChem (CID 123380075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).