2-(2-benzo[g][1]benzothiol-2-yl-1-benzothiophen-3-yl)benzo[g][1]benzothiole

C32H18S3 — CID 175933198

IUPAC2-(2-benzo[g][1]benzothiol-2-yl-1-benzothiophen-3-yl)benzo[g][1]benzothiole
SMILESc1ccc2c(c1)ccc1cc(-c3sc4ccccc4c3-c3cc4ccc5ccccc5c4s3)sc12
InChIInChI=1S/C32H18S3/c1-3-9-23-19(7-1)13-15-21-17-27(34-30(21)23)29-25-11-5-6-12-26(25)33-32(29)28-18-22-16-14-20-8-2-4-10-24(20)31(22)35-28/h1-18H
InChIKeyPQKQAFBHYRCPEI-UHFFFAOYSA-N
MW498.70 g/mol
LogP10.97
Rot. Bonds2

About 2-(2-benzo[g][1]benzothiol-2-yl-1-benzothiophen-3-yl)benzo[g][1]benzothiole

2-(2-benzo[g][1]benzothiol-2-yl-1-benzothiophen-3-yl)benzo[g][1]benzothiole (PubChem CID 175933198) has the molecular formula C32H18S3 and a molecular weight of 498.70 g/mol. Its IUPAC name is 2-(2-benzo[g][1]benzothiol-2-yl-1-benzothiophen-3-yl)benzo[g][1]benzothiole.

Molecular Properties

Compound Name2-(2-benzo[g][1]benzothiol-2-yl-1-benzothiophen-3-yl)benzo[g][1]benzothiole
PubChem CID175933198
Molecular FormulaC32H18S3
Molecular Weight498.70 g/mol
Exact Mass498.06
IUPAC Name2-(2-benzo[g][1]benzothiol-2-yl-1-benzothiophen-3-yl)benzo[g][1]benzothiole
SMILESc1ccc2c(c1)ccc1cc(-c3sc4ccccc4c3-c3cc4ccc5ccccc5c4s3)sc12
InChIInChI=1S/C32H18S3/c1-3-9-23-19(7-1)13-15-21-17-27(34-30(21)23)29-25-11-5-6-12-26(25)33-32(29)28-18-22-16-14-20-8-2-4-10-24(20)31(22)35-28/h1-18H
InChIKeyPQKQAFBHYRCPEI-UHFFFAOYSA-N
XLogP10.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.70
LogP ≤ 510.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 58501127
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CID 166922201
2-[7-(1-benzothiophen-2-yl)benzo[a]anthracen-12-yl]-1-benzothiophene
CID 59601091
N-(4-benzo[g][1]benzothiol-2-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-(4-benzo[g][1]benzothiol-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(4-benzo[g][1]benzothiol-2-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-benzo[g][1]benzothiol-2-ylphenyl)-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;N-[4-(4-benzo[g][1]benzothiol-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-benzo[g][1]benzothiol-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 165042446
N-(4-benzo[g][1]benzothiol-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 164744905
2-[13-(1-benzothiophen-2-yl)pentacen-6-yl]-1-benzothiophene
CID 86041165
2-(10-benzo[f][1]benzothiol-2-ylanthracen-9-yl)benzo[f][1]benzothiole
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CID 58362123
8-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzothiole
CID 118503423
2-[2-([1]benzothiolo[3,2-b][1]benzothiol-2-yl)thieno[2,3-f][1]benzothiol-6-yl]-[1]benzothiolo[3,2-b][1]benzothiole
CID 156519656
2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene
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10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),3(11),4,6,8,14,16,18-octaene-2,12-dione
CID 10615659

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzo[g][1]benzothiol-2-yl-1-benzothiophen-3-yl)benzo[g][1]benzothiole?
The IUPAC name of 2-(2-benzo[g][1]benzothiol-2-yl-1-benzothiophen-3-yl)benzo[g][1]benzothiole (CID 175933198) is 2-(2-benzo[g][1]benzothiol-2-yl-1-benzothiophen-3-yl)benzo[g][1]benzothiole.
What is the SMILES notation for 2-(2-benzo[g][1]benzothiol-2-yl-1-benzothiophen-3-yl)benzo[g][1]benzothiole?
The canonical SMILES for 2-(2-benzo[g][1]benzothiol-2-yl-1-benzothiophen-3-yl)benzo[g][1]benzothiole is c1ccc2c(c1)ccc1cc(-c3sc4ccccc4c3-c3cc4ccc5ccccc5c4s3)sc12.
What is the InChIKey of 2-(2-benzo[g][1]benzothiol-2-yl-1-benzothiophen-3-yl)benzo[g][1]benzothiole?
The InChIKey is PQKQAFBHYRCPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18S3/c1-3-9-23-19(7-1)13-15-21-17-27(34-30(21)23)29-25-11-5-6-12-26(25)33-32(29)28-18-22-16-14-20-8-2-4-10-24(20)31(22)35-28/h1-18H.
What are the key properties of 2-(2-benzo[g][1]benzothiol-2-yl-1-benzothiophen-3-yl)benzo[g][1]benzothiole?
2-(2-benzo[g][1]benzothiol-2-yl-1-benzothiophen-3-yl)benzo[g][1]benzothiole has a molecular weight of 498.70 g/mol, XLogP of 10.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzo[g][1]benzothiol-2-yl-1-benzothiophen-3-yl)benzo[g][1]benzothiole is sourced from PubChem (CID 175933198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).