2,5-diphenyl-1H-indene;zirconium(2+);dichloride

C21H16Cl2Zr — CID 175286821

IUPAC2,5-diphenyl-1H-indene;zirconium(2+);dichloride
SMILESC1=C(c2ccccc2)Cc2ccc(-c3ccccc3)cc21.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C21H16.2ClH.Zr/c1-3-7-16(8-4-1)18-11-12-19-14-20(15-21(19)13-18)17-9-5-2-6-10-17;;;/h1-13,15H,14H2;2*1H;/q;;;+2/p-2
InChIKeyDKPPWIFZRVMJCN-UHFFFAOYSA-L
MW430.49 g/mol
LogP-0.54
Rot. Bonds2

About 2,5-diphenyl-1H-indene;zirconium(2+);dichloride

2,5-diphenyl-1H-indene;zirconium(2+);dichloride (PubChem CID 175286821) has the molecular formula C21H16Cl2Zr and a molecular weight of 430.49 g/mol. Its IUPAC name is 2,5-diphenyl-1H-indene;zirconium(2+);dichloride.

Molecular Properties

Compound Name2,5-diphenyl-1H-indene;zirconium(2+);dichloride
PubChem CID175286821
Molecular FormulaC21H16Cl2Zr
Molecular Weight430.49 g/mol
Exact Mass427.97
IUPAC Name2,5-diphenyl-1H-indene;zirconium(2+);dichloride
SMILESC1=C(c2ccccc2)Cc2ccc(-c3ccccc3)cc21.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C21H16.2ClH.Zr/c1-3-7-16(8-4-1)18-11-12-19-14-20(15-21(19)13-18)17-9-5-2-6-10-17;;;/h1-13,15H,14H2;2*1H;/q;;;+2/p-2
InChIKeyDKPPWIFZRVMJCN-UHFFFAOYSA-L
XLogP-0.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 5-0.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-(4-phenylphenyl)-1H-indene;zirconium
CID 174373323
2-[3-(1H-inden-2-yl)phenyl]-1H-indene
CID 159714267
2-[3-(2-phenyl-1H-inden-5-yl)prop-1-en-2-yl]naphthalene
CID 147670045
3,3',6,6'-tetraphenyl-9,9'-spirobi[thioxanthene]
CID 118698488
(3E)-5-phenyl-3-(6-phenyl-2,3-dihydroinden-1-ylidene)-1,2-dihydroindene
CID 101427636
4-(3,5-dimethylphenyl)-2,5-diphenyl-1H-indene
CID 87702697
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
1-[[4-[4-(1H-inden-2-yl)phenyl]phenyl]-phenylmethyl]naphthalene
CID 58568788
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
2-(3,5-ditert-butylphenyl)-1H-indene;dichlorozirconium
CID 174234442
9-(3-bromophenyl)tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene
CID 145377281

Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-1H-indene;zirconium(2+);dichloride?
The IUPAC name of 2,5-diphenyl-1H-indene;zirconium(2+);dichloride (CID 175286821) is 2,5-diphenyl-1H-indene;zirconium(2+);dichloride.
What is the SMILES notation for 2,5-diphenyl-1H-indene;zirconium(2+);dichloride?
The canonical SMILES for 2,5-diphenyl-1H-indene;zirconium(2+);dichloride is C1=C(c2ccccc2)Cc2ccc(-c3ccccc3)cc21.[Cl-].[Cl-].[Zr+2].
What is the InChIKey of 2,5-diphenyl-1H-indene;zirconium(2+);dichloride?
The InChIKey is DKPPWIFZRVMJCN-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H16.2ClH.Zr/c1-3-7-16(8-4-1)18-11-12-19-14-20(15-21(19)13-18)17-9-5-2-6-10-17;;;/h1-13,15H,14H2;2*1H;/q;;;+2/p-2.
What are the key properties of 2,5-diphenyl-1H-indene;zirconium(2+);dichloride?
2,5-diphenyl-1H-indene;zirconium(2+);dichloride has a molecular weight of 430.49 g/mol, XLogP of -0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-1H-indene;zirconium(2+);dichloride is sourced from PubChem (CID 175286821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).