bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);benzene;carbanide;germylidenezirconium;dihydrochloride

C25H34Cl2GeZr-4 — CID 173283505

IUPACbis(2,3,3a,4-tetrahydro-1H-inden-1-ide);benzene;carbanide;germylidenezirconium;dihydrochloride
SMILESC1=CCC2CC[CH-]C2=C1.C1=CCC2CC[CH-]C2=C1.Cl.Cl.[CH3-].[GeH2]=[Zr].[c-]1ccccc1
InChIInChI=1S/2C9H11.C6H5.CH3.2ClH.GeH2.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;1-2-4-6-5-3-1;;;;;/h2*1-2,4,6,9H,3,5,7H2;1-5H;1H3;2*1H;1H2;/q4*-1;;;;
InChIKeyGCBOUHKNTAJKBV-UHFFFAOYSA-N
MW569.29 g/mol
LogP6.84
Rot. Bonds

About bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);benzene;carbanide;germylidenezirconium;dihydrochloride

bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);benzene;carbanide;germylidenezirconium;dihydrochloride (PubChem CID 173283505) has the molecular formula C25H34Cl2GeZr-4 and a molecular weight of 569.29 g/mol. Its IUPAC name is bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);benzene;carbanide;germylidenezirconium;dihydrochloride.

Molecular Properties

Compound Namebis(2,3,3a,4-tetrahydro-1H-inden-1-ide);benzene;carbanide;germylidenezirconium;dihydrochloride
PubChem CID173283505
Molecular FormulaC25H34Cl2GeZr-4
Molecular Weight569.29 g/mol
Exact Mass568.03
IUPAC Namebis(2,3,3a,4-tetrahydro-1H-inden-1-ide);benzene;carbanide;germylidenezirconium;dihydrochloride
SMILESC1=CCC2CC[CH-]C2=C1.C1=CCC2CC[CH-]C2=C1.Cl.Cl.[CH3-].[GeH2]=[Zr].[c-]1ccccc1
InChIInChI=1S/2C9H11.C6H5.CH3.2ClH.GeH2.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;1-2-4-6-5-3-1;;;;;/h2*1-2,4,6,9H,3,5,7H2;1-5H;1H3;2*1H;1H2;/q4*-1;;;;
InChIKeyGCBOUHKNTAJKBV-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.29
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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zinc;2,3,3a,4-tetrahydro-1H-inden-1-ide;dichloride
CID 172750129
CID 172710526
CID 172710526
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CID 174403588
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CID 172847750
CID 172847750
bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);1,1-dichloropropan-2-ylidenetitanium(2+)
CID 151071578
CID 172999118
CID 172999118
2,3,3a,4-tetrahydro-1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;zirconium(2+)
CID 87830426
bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);bis(dichlorozirconium(2+));ethene;bis(1H-inden-1-ide)
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Frequently Asked Questions

What is the IUPAC name of bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);benzene;carbanide;germylidenezirconium;dihydrochloride?
The IUPAC name of bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);benzene;carbanide;germylidenezirconium;dihydrochloride (CID 173283505) is bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);benzene;carbanide;germylidenezirconium;dihydrochloride.
What is the SMILES notation for bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);benzene;carbanide;germylidenezirconium;dihydrochloride?
The canonical SMILES for bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);benzene;carbanide;germylidenezirconium;dihydrochloride is C1=CCC2CC[CH-]C2=C1.C1=CCC2CC[CH-]C2=C1.Cl.Cl.[CH3-].[GeH2]=[Zr].[c-]1ccccc1.
What is the InChIKey of bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);benzene;carbanide;germylidenezirconium;dihydrochloride?
The InChIKey is GCBOUHKNTAJKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11.C6H5.CH3.2ClH.GeH2.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;1-2-4-6-5-3-1;;;;;/h2*1-2,4,6,9H,3,5,7H2;1-5H;1H3;2*1H;1H2;/q4*-1;;;;.
What are the key properties of bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);benzene;carbanide;germylidenezirconium;dihydrochloride?
bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);benzene;carbanide;germylidenezirconium;dihydrochloride has a molecular weight of 569.29 g/mol, XLogP of 6.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);benzene;carbanide;germylidenezirconium;dihydrochloride is sourced from PubChem (CID 173283505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).