4-bromo-7-[(7-bromo-2-methyl-3H-inden-4-yl)sulfanyl]-2-methyl-1H-indene

C20H16Br2S — CID 59832535

IUPAC4-bromo-7-[(7-bromo-2-methyl-3H-inden-4-yl)sulfanyl]-2-methyl-1H-indene
SMILESCC1=Cc2c(Br)ccc(Sc3ccc(Br)c4c3CC(C)=C4)c2C1
InChIInChI=1S/C20H16Br2S/c1-11-7-13-15(9-11)19(5-3-17(13)21)23-20-6-4-18(22)14-8-12(2)10-16(14)20/h3-8H,9-10H2,1-2H3
InChIKeyKGEZJMZJMGMSDA-UHFFFAOYSA-N
MW448.22 g/mol
LogP7.28
Rot. Bonds2

About 4-bromo-7-[(7-bromo-2-methyl-3H-inden-4-yl)sulfanyl]-2-methyl-1H-indene

4-bromo-7-[(7-bromo-2-methyl-3H-inden-4-yl)sulfanyl]-2-methyl-1H-indene (PubChem CID 59832535) has the molecular formula C20H16Br2S and a molecular weight of 448.22 g/mol. Its IUPAC name is 4-bromo-7-[(7-bromo-2-methyl-3H-inden-4-yl)sulfanyl]-2-methyl-1H-indene.

Molecular Properties

Compound Name4-bromo-7-[(7-bromo-2-methyl-3H-inden-4-yl)sulfanyl]-2-methyl-1H-indene
PubChem CID59832535
Molecular FormulaC20H16Br2S
Molecular Weight448.22 g/mol
Exact Mass445.93
IUPAC Name4-bromo-7-[(7-bromo-2-methyl-3H-inden-4-yl)sulfanyl]-2-methyl-1H-indene
SMILESCC1=Cc2c(Br)ccc(Sc3ccc(Br)c4c3CC(C)=C4)c2C1
InChIInChI=1S/C20H16Br2S/c1-11-7-13-15(9-11)19(5-3-17(13)21)23-20-6-4-18(22)14-8-12(2)10-16(14)20/h3-8H,9-10H2,1-2H3
InChIKeyKGEZJMZJMGMSDA-UHFFFAOYSA-N
XLogP7.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.22
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-bromo-7-[(7-bromo-2-methyl-3H-inden-4-yl)sulfanyl]-2-methyl-1H-indene with MolForge

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Related Compounds

4-bromo-7-[(7-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)sulfanyl]-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;4-bromo-7-[(7-bromo-2-methyl-3H-inden-4-yl)sulfanyl]-2-methyl-1H-indene;carbanide;dichlorozirconium(2+)
CID 162286298
2,4,6-trimethyl-1,5-dihydrocyclopropa[f]indene
CID 59090525
4-bromo-2-methyl-6-(trifluoromethyl)-1H-indene
CID 140504781
2,7-dimethyl-4,6-di(propan-2-yl)-1H-indene
CID 22602468
5-bromo-8-methoxy-3-methyl-2H-chromene
CID 171088493
7-bromo-2,3-dimethyl-1H-indene
CID 59608909
CID 102052496
CID 102052496
2,4-dimethyl-7-(1-methylcyclohexyl)-1H-indene
CID 56994043
4-bromo-2,7-dimethyl-5,6-dihydronaphthalen-1-ol
CID 121011731
2,5-dimethyl-1,4-dihydropentalene
CID 149449471
1-[2-bromo-4-(trifluoromethyl)phenyl]sulfanyl-2,4-dimethylbenzene
CID 68681740
5-bromo-2,3,4-trimethyl-1H-indene
CID 173231939

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-[(7-bromo-2-methyl-3H-inden-4-yl)sulfanyl]-2-methyl-1H-indene?
The IUPAC name of 4-bromo-7-[(7-bromo-2-methyl-3H-inden-4-yl)sulfanyl]-2-methyl-1H-indene (CID 59832535) is 4-bromo-7-[(7-bromo-2-methyl-3H-inden-4-yl)sulfanyl]-2-methyl-1H-indene.
What is the SMILES notation for 4-bromo-7-[(7-bromo-2-methyl-3H-inden-4-yl)sulfanyl]-2-methyl-1H-indene?
The canonical SMILES for 4-bromo-7-[(7-bromo-2-methyl-3H-inden-4-yl)sulfanyl]-2-methyl-1H-indene is CC1=Cc2c(Br)ccc(Sc3ccc(Br)c4c3CC(C)=C4)c2C1.
What is the InChIKey of 4-bromo-7-[(7-bromo-2-methyl-3H-inden-4-yl)sulfanyl]-2-methyl-1H-indene?
The InChIKey is KGEZJMZJMGMSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Br2S/c1-11-7-13-15(9-11)19(5-3-17(13)21)23-20-6-4-18(22)14-8-12(2)10-16(14)20/h3-8H,9-10H2,1-2H3.
What are the key properties of 4-bromo-7-[(7-bromo-2-methyl-3H-inden-4-yl)sulfanyl]-2-methyl-1H-indene?
4-bromo-7-[(7-bromo-2-methyl-3H-inden-4-yl)sulfanyl]-2-methyl-1H-indene has a molecular weight of 448.22 g/mol, XLogP of 7.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-[(7-bromo-2-methyl-3H-inden-4-yl)sulfanyl]-2-methyl-1H-indene is sourced from PubChem (CID 59832535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).