2-(3-methyl-4-propan-2-ylcyclopenta-1,4-dien-1-yl)dibenzothiophene

C21H20S — CID 153258928

IUPAC2-(3-methyl-4-propan-2-ylcyclopenta-1,4-dien-1-yl)dibenzothiophene
SMILESCC(C)C1=CC(c2ccc3sc4ccccc4c3c2)=CC1C
InChIInChI=1S/C21H20S/c1-13(2)18-12-16(10-14(18)3)15-8-9-21-19(11-15)17-6-4-5-7-20(17)22-21/h4-14H,1-3H3
InChIKeyWUVGRWAAHBXCLU-UHFFFAOYSA-N
MW304.46 g/mol
LogP6.67
Rot. Bonds2

About 2-(3-methyl-4-propan-2-ylcyclopenta-1,4-dien-1-yl)dibenzothiophene

2-(3-methyl-4-propan-2-ylcyclopenta-1,4-dien-1-yl)dibenzothiophene (PubChem CID 153258928) has the molecular formula C21H20S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-(3-methyl-4-propan-2-ylcyclopenta-1,4-dien-1-yl)dibenzothiophene.

Molecular Properties

Compound Name2-(3-methyl-4-propan-2-ylcyclopenta-1,4-dien-1-yl)dibenzothiophene
PubChem CID153258928
Molecular FormulaC21H20S
Molecular Weight304.46 g/mol
Exact Mass304.13
IUPAC Name2-(3-methyl-4-propan-2-ylcyclopenta-1,4-dien-1-yl)dibenzothiophene
SMILESCC(C)C1=CC(c2ccc3sc4ccccc4c3c2)=CC1C
InChIInChI=1S/C21H20S/c1-13(2)18-12-16(10-14(18)3)15-8-9-21-19(11-15)17-6-4-5-7-20(17)22-21/h4-14H,1-3H3
InChIKeyWUVGRWAAHBXCLU-UHFFFAOYSA-N
XLogP6.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.46
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-dibenzothiophen-2-yl-8-[3,5-di(dibenzothiophen-2-yl)cyclohexa-1,3-dien-1-yl]dibenzothiophene
CID 90291981
4-(2-deuteriopropan-2-yl)-2-dibenzothiophen-2-ylpyridine
CID 162708702
2-[10-[3-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]dibenzothiophene
CID 153438373
2-(4-iodophenyl)dibenzothiophene
CID 118465203
2-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophene
CID 90295288
2-[3-[7-(3-dibenzothiophen-2-ylphenyl)triphenylen-2-yl]phenyl]dibenzothiophene
CID 118490703
2,5-di(dibenzothiophen-2-yl)benzene-1,4-diol
CID 169075776
2-[4-[4-(4-ethylphenyl)phenyl]phenyl]dibenzothiophene
CID 126745943
(2-dibenzothiophen-2-yl-5-propan-2-yl-4-pyridinyl)-trimethylsilane
CID 140720181
2-(7-dibenzothiophen-2-ylpyren-2-yl)dibenzothiophene
CID 139341252
bis(dibenzothiophene);ethane
CID 143921746
2-(7-dibenzothiophen-2-yl-9,10-diphenylanthracen-2-yl)dibenzothiophene
CID 59745938

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-propan-2-ylcyclopenta-1,4-dien-1-yl)dibenzothiophene?
The IUPAC name of 2-(3-methyl-4-propan-2-ylcyclopenta-1,4-dien-1-yl)dibenzothiophene (CID 153258928) is 2-(3-methyl-4-propan-2-ylcyclopenta-1,4-dien-1-yl)dibenzothiophene.
What is the SMILES notation for 2-(3-methyl-4-propan-2-ylcyclopenta-1,4-dien-1-yl)dibenzothiophene?
The canonical SMILES for 2-(3-methyl-4-propan-2-ylcyclopenta-1,4-dien-1-yl)dibenzothiophene is CC(C)C1=CC(c2ccc3sc4ccccc4c3c2)=CC1C.
What is the InChIKey of 2-(3-methyl-4-propan-2-ylcyclopenta-1,4-dien-1-yl)dibenzothiophene?
The InChIKey is WUVGRWAAHBXCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20S/c1-13(2)18-12-16(10-14(18)3)15-8-9-21-19(11-15)17-6-4-5-7-20(17)22-21/h4-14H,1-3H3.
What are the key properties of 2-(3-methyl-4-propan-2-ylcyclopenta-1,4-dien-1-yl)dibenzothiophene?
2-(3-methyl-4-propan-2-ylcyclopenta-1,4-dien-1-yl)dibenzothiophene has a molecular weight of 304.46 g/mol, XLogP of 6.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-propan-2-ylcyclopenta-1,4-dien-1-yl)dibenzothiophene is sourced from PubChem (CID 153258928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).