4-bromo-1-[2-(4-bromo-1H-inden-2-yl)propan-2-yl]-1H-indene

C21H18Br2 — CID 67039896

IUPAC4-bromo-1-[2-(4-bromo-1H-inden-2-yl)propan-2-yl]-1H-indene
SMILESCC(C)(C1=Cc2c(Br)cccc2C1)C1C=Cc2c(Br)cccc21
InChIInChI=1S/C21H18Br2/c1-21(2,14-11-13-5-3-7-20(23)17(13)12-14)18-10-9-16-15(18)6-4-8-19(16)22/h3-10,12,18H,11H2,1-2H3
InChIKeyONLMVVOMKOMGGN-UHFFFAOYSA-N
MW430.18 g/mol
LogP6.99
Rot. Bonds2

About 4-bromo-1-[2-(4-bromo-1H-inden-2-yl)propan-2-yl]-1H-indene

4-bromo-1-[2-(4-bromo-1H-inden-2-yl)propan-2-yl]-1H-indene (PubChem CID 67039896) has the molecular formula C21H18Br2 and a molecular weight of 430.18 g/mol. Its IUPAC name is 4-bromo-1-[2-(4-bromo-1H-inden-2-yl)propan-2-yl]-1H-indene.

Molecular Properties

Compound Name4-bromo-1-[2-(4-bromo-1H-inden-2-yl)propan-2-yl]-1H-indene
PubChem CID67039896
Molecular FormulaC21H18Br2
Molecular Weight430.18 g/mol
Exact Mass427.98
IUPAC Name4-bromo-1-[2-(4-bromo-1H-inden-2-yl)propan-2-yl]-1H-indene
SMILESCC(C)(C1=Cc2c(Br)cccc2C1)C1C=Cc2c(Br)cccc21
InChIInChI=1S/C21H18Br2/c1-21(2,14-11-13-5-3-7-20(23)17(13)12-14)18-10-9-16-15(18)6-4-8-19(16)22/h3-10,12,18H,11H2,1-2H3
InChIKeyONLMVVOMKOMGGN-UHFFFAOYSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.18
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[2-(4-bromo-1H-inden-2-yl)propan-2-yl]-1H-indene?
The IUPAC name of 4-bromo-1-[2-(4-bromo-1H-inden-2-yl)propan-2-yl]-1H-indene (CID 67039896) is 4-bromo-1-[2-(4-bromo-1H-inden-2-yl)propan-2-yl]-1H-indene.
What is the SMILES notation for 4-bromo-1-[2-(4-bromo-1H-inden-2-yl)propan-2-yl]-1H-indene?
The canonical SMILES for 4-bromo-1-[2-(4-bromo-1H-inden-2-yl)propan-2-yl]-1H-indene is CC(C)(C1=Cc2c(Br)cccc2C1)C1C=Cc2c(Br)cccc21.
What is the InChIKey of 4-bromo-1-[2-(4-bromo-1H-inden-2-yl)propan-2-yl]-1H-indene?
The InChIKey is ONLMVVOMKOMGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Br2/c1-21(2,14-11-13-5-3-7-20(23)17(13)12-14)18-10-9-16-15(18)6-4-8-19(16)22/h3-10,12,18H,11H2,1-2H3.
What are the key properties of 4-bromo-1-[2-(4-bromo-1H-inden-2-yl)propan-2-yl]-1H-indene?
4-bromo-1-[2-(4-bromo-1H-inden-2-yl)propan-2-yl]-1H-indene has a molecular weight of 430.18 g/mol, XLogP of 6.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[2-(4-bromo-1H-inden-2-yl)propan-2-yl]-1H-indene is sourced from PubChem (CID 67039896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).