2-benzyl-1H-indene;tetrabromozirconium

C16H14Br4Zr — CID 174700652

IUPAC2-benzyl-1H-indene;tetrabromozirconium
SMILESBr[Zr](Br)(Br)Br.C1=C(Cc2ccccc2)Cc2ccccc21
InChIInChI=1S/C16H14.4BrH.Zr/c1-2-6-13(7-3-1)10-14-11-15-8-4-5-9-16(15)12-14;;;;;/h1-9,11H,10,12H2;4*1H;/q;;;;;+4/p-4
InChIKeyOJKMKLOCNVRCMK-UHFFFAOYSA-J
MW617.13 g/mol
LogP7.25
Rot. Bonds2

About 2-benzyl-1H-indene;tetrabromozirconium

2-benzyl-1H-indene;tetrabromozirconium (PubChem CID 174700652) has the molecular formula C16H14Br4Zr and a molecular weight of 617.13 g/mol. Its IUPAC name is 2-benzyl-1H-indene;tetrabromozirconium.

Molecular Properties

Compound Name2-benzyl-1H-indene;tetrabromozirconium
PubChem CID174700652
Molecular FormulaC16H14Br4Zr
Molecular Weight617.13 g/mol
Exact Mass611.69
IUPAC Name2-benzyl-1H-indene;tetrabromozirconium
SMILESBr[Zr](Br)(Br)Br.C1=C(Cc2ccccc2)Cc2ccccc21
InChIInChI=1S/C16H14.4BrH.Zr/c1-2-6-13(7-3-1)10-14-11-15-8-4-5-9-16(15)12-14;;;;;/h1-9,11H,10,12H2;4*1H;/q;;;;;+4/p-4
InChIKeyOJKMKLOCNVRCMK-UHFFFAOYSA-J
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.13
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[[3-[[3-[(3-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]-1H-indene
CID 165066189
2-(1H-inden-2-ylmethyl)-1H-indene;zirconium(2+);dichloride
CID 22726390
1-(1H-inden-2-yl)-N-methylmethanamine
CID 22593771
1H-inden-2-ylsilane
CID 137327560
N-(1H-inden-2-ylmethyl)benzamide
CID 154711100
3-(1H-inden-2-yl)-2-methylpropan-1-ol
CID 158884678
[3-(1H-inden-2-yl)-2-methylpropyl]phosphane
CID 158075760
2-(4-phenylphenyl)-1H-indene;zirconium
CID 174373323
CID 143131255
CID 143131255
1-(1H-inden-2-ylmethyl)-1H-indene
CID 87862084
phenyl(113C)methylbenzene
CID 11194569
5-benzyl-2-methyl-1H-indene
CID 139825397

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1H-indene;tetrabromozirconium?
The IUPAC name of 2-benzyl-1H-indene;tetrabromozirconium (CID 174700652) is 2-benzyl-1H-indene;tetrabromozirconium.
What is the SMILES notation for 2-benzyl-1H-indene;tetrabromozirconium?
The canonical SMILES for 2-benzyl-1H-indene;tetrabromozirconium is Br[Zr](Br)(Br)Br.C1=C(Cc2ccccc2)Cc2ccccc21.
What is the InChIKey of 2-benzyl-1H-indene;tetrabromozirconium?
The InChIKey is OJKMKLOCNVRCMK-UHFFFAOYSA-J. The full InChI is InChI=1S/C16H14.4BrH.Zr/c1-2-6-13(7-3-1)10-14-11-15-8-4-5-9-16(15)12-14;;;;;/h1-9,11H,10,12H2;4*1H;/q;;;;;+4/p-4.
What are the key properties of 2-benzyl-1H-indene;tetrabromozirconium?
2-benzyl-1H-indene;tetrabromozirconium has a molecular weight of 617.13 g/mol, XLogP of 7.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1H-indene;tetrabromozirconium is sourced from PubChem (CID 174700652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).