7-methyl-2-(7,9,9-trimethylfluoren-2-yl)-[1]benzothiolo[7,6-g][1]benzothiole

C31H24S2 — CID 71102116

IUPAC7-methyl-2-(7,9,9-trimethylfluoren-2-yl)-[1]benzothiolo[7,6-g][1]benzothiole
SMILESCc1ccc2c(c1)C(C)(C)c1cc(-c3cc4ccc5c(ccc6cc(C)sc65)c4s3)ccc1-2
InChIInChI=1S/C31H24S2/c1-17-5-9-22-23-10-6-19(15-27(23)31(3,4)26(22)13-17)28-16-21-8-12-24-25(30(21)33-28)11-7-20-14-18(2)32-29(20)24/h5-16H,1-4H3
InChIKeyAVTVEFAIPFYZEW-UHFFFAOYSA-N
MW460.67 g/mol
LogP9.86
Rot. Bonds1

About 7-methyl-2-(7,9,9-trimethylfluoren-2-yl)-[1]benzothiolo[7,6-g][1]benzothiole

7-methyl-2-(7,9,9-trimethylfluoren-2-yl)-[1]benzothiolo[7,6-g][1]benzothiole (PubChem CID 71102116) has the molecular formula C31H24S2 and a molecular weight of 460.67 g/mol. Its IUPAC name is 7-methyl-2-(7,9,9-trimethylfluoren-2-yl)-[1]benzothiolo[7,6-g][1]benzothiole.

Molecular Properties

Compound Name7-methyl-2-(7,9,9-trimethylfluoren-2-yl)-[1]benzothiolo[7,6-g][1]benzothiole
PubChem CID71102116
Molecular FormulaC31H24S2
Molecular Weight460.67 g/mol
Exact Mass460.13
IUPAC Name7-methyl-2-(7,9,9-trimethylfluoren-2-yl)-[1]benzothiolo[7,6-g][1]benzothiole
SMILESCc1ccc2c(c1)C(C)(C)c1cc(-c3cc4ccc5c(ccc6cc(C)sc65)c4s3)ccc1-2
InChIInChI=1S/C31H24S2/c1-17-5-9-22-23-10-6-19(15-27(23)31(3,4)26(22)13-17)28-16-21-8-12-24-25(30(21)33-28)11-7-20-14-18(2)32-29(20)24/h5-16H,1-4H3
InChIKeyAVTVEFAIPFYZEW-UHFFFAOYSA-N
XLogP9.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.67
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-methyl-2-(7,9,9-trimethylfluoren-2-yl)-[1]benzothiolo[7,6-g][1]benzothiole with MolForge

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Related Compounds

2-(7,9,9-trimethylfluoren-2-yl)-5-[5-(7,9,9-trimethylfluoren-2-yl)thiophen-2-yl]thiophene
CID 59167067
5-[5-[9,9-dimethyl-7-[2-(7,9,9-trimethylfluoren-2-yl)thieno[3,2-b]thiophen-5-yl]fluoren-2-yl]thiophen-2-yl]-2,3-dimethyl-7-(5-methylthiophen-2-yl)thieno[3,4-b]pyrazine
CID 71182218
2,7,9,9-tetramethylfluorene
CID 22951928
3,9,11,11-tetramethylbenzo[a]fluorene
CID 59806680
2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene
CID 58943521
2,3,4-trimethyl-5-(7,9,9-trimethylfluoren-2-yl)thiophene
CID 58880749
9-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenanthrene
CID 143227241
2-(9,9-dimethylfluoren-2-yl)-5-[5-(9,9-dimethylfluoren-2-yl)thiophen-2-yl]thiophene
CID 155449285
2-(7,9,9-trimethylfluoren-2-yl)pyridine
CID 140941467
2,6,9,9-tetramethylfluorene
CID 23527438
2,4-diphenyl-6-[4-[4-(7,9,9-trimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 157292922
2-(4-methylphenyl)-4-phenyl-6-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]-1,3,5-triazine
CID 20724533

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(7,9,9-trimethylfluoren-2-yl)-[1]benzothiolo[7,6-g][1]benzothiole?
The IUPAC name of 7-methyl-2-(7,9,9-trimethylfluoren-2-yl)-[1]benzothiolo[7,6-g][1]benzothiole (CID 71102116) is 7-methyl-2-(7,9,9-trimethylfluoren-2-yl)-[1]benzothiolo[7,6-g][1]benzothiole.
What is the SMILES notation for 7-methyl-2-(7,9,9-trimethylfluoren-2-yl)-[1]benzothiolo[7,6-g][1]benzothiole?
The canonical SMILES for 7-methyl-2-(7,9,9-trimethylfluoren-2-yl)-[1]benzothiolo[7,6-g][1]benzothiole is Cc1ccc2c(c1)C(C)(C)c1cc(-c3cc4ccc5c(ccc6cc(C)sc65)c4s3)ccc1-2.
What is the InChIKey of 7-methyl-2-(7,9,9-trimethylfluoren-2-yl)-[1]benzothiolo[7,6-g][1]benzothiole?
The InChIKey is AVTVEFAIPFYZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24S2/c1-17-5-9-22-23-10-6-19(15-27(23)31(3,4)26(22)13-17)28-16-21-8-12-24-25(30(21)33-28)11-7-20-14-18(2)32-29(20)24/h5-16H,1-4H3.
What are the key properties of 7-methyl-2-(7,9,9-trimethylfluoren-2-yl)-[1]benzothiolo[7,6-g][1]benzothiole?
7-methyl-2-(7,9,9-trimethylfluoren-2-yl)-[1]benzothiolo[7,6-g][1]benzothiole has a molecular weight of 460.67 g/mol, XLogP of 9.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(7,9,9-trimethylfluoren-2-yl)-[1]benzothiolo[7,6-g][1]benzothiole is sourced from PubChem (CID 71102116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).