lithium;chromium(3+);bis(diphenylphosphanylmethyl(diphenyl)phosphane);oxolane;dichloride

C66H74Cl2CrLiO4P4 — CID 139107768

IUPAClithium;chromium(3+);bis(diphenylphosphanylmethyl(diphenyl)phosphane);oxolane;dichloride
SMILESC1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.[Cl-].[Cl-].[Cr+3].[Li+].c1ccc(P([CH-]P(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P([CH-]P(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C25H21P2.4C4H8O.2ClH.Cr.Li/c2*1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;4*1-2-4-5-3-1;;;;/h2*1-21H;4*1-4H2;2*1H;;/q2*-1;;;;;;;+3;+1/p-2
InChIKeyKDMNUDFGECBKAP-UHFFFAOYSA-L
MW1185.05 g/mol
LogP4.94
Rot. Bonds12

About lithium;chromium(3+);bis(diphenylphosphanylmethyl(diphenyl)phosphane);oxolane;dichloride

lithium;chromium(3+);bis(diphenylphosphanylmethyl(diphenyl)phosphane);oxolane;dichloride (PubChem CID 139107768) has the molecular formula C66H74Cl2CrLiO4P4 and a molecular weight of 1185.05 g/mol. Its IUPAC name is lithium;chromium(3+);bis(diphenylphosphanylmethyl(diphenyl)phosphane);oxolane;dichloride.

Molecular Properties

Compound Namelithium;chromium(3+);bis(diphenylphosphanylmethyl(diphenyl)phosphane);oxolane;dichloride
PubChem CID139107768
Molecular FormulaC66H74Cl2CrLiO4P4
Molecular Weight1185.05 g/mol
Exact Mass1183.35
IUPAC Namelithium;chromium(3+);bis(diphenylphosphanylmethyl(diphenyl)phosphane);oxolane;dichloride
SMILESC1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.[Cl-].[Cl-].[Cr+3].[Li+].c1ccc(P([CH-]P(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P([CH-]P(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C25H21P2.4C4H8O.2ClH.Cr.Li/c2*1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;4*1-2-4-5-3-1;;;;/h2*1-21H;4*1-4H2;2*1H;;/q2*-1;;;;;;;+3;+1/p-2
InChIKeyKDMNUDFGECBKAP-UHFFFAOYSA-L
XLogP4.94
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001185.05
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 87662459
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oxane;oxolane;toluene
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CID 139036812
dilithium;bis([diphenylphosphanyl-(propan-2-ylazaniumyl)methyl]-propan-2-ylazanide);oxolane
CID 6396041
oxolane;titanium
CID 160710512
anisole;oxolane
CID 21469894
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CID 5259572

Frequently Asked Questions

What is the IUPAC name of lithium;chromium(3+);bis(diphenylphosphanylmethyl(diphenyl)phosphane);oxolane;dichloride?
The IUPAC name of lithium;chromium(3+);bis(diphenylphosphanylmethyl(diphenyl)phosphane);oxolane;dichloride (CID 139107768) is lithium;chromium(3+);bis(diphenylphosphanylmethyl(diphenyl)phosphane);oxolane;dichloride.
What is the SMILES notation for lithium;chromium(3+);bis(diphenylphosphanylmethyl(diphenyl)phosphane);oxolane;dichloride?
The canonical SMILES for lithium;chromium(3+);bis(diphenylphosphanylmethyl(diphenyl)phosphane);oxolane;dichloride is C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.[Cl-].[Cl-].[Cr+3].[Li+].c1ccc(P([CH-]P(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P([CH-]P(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of lithium;chromium(3+);bis(diphenylphosphanylmethyl(diphenyl)phosphane);oxolane;dichloride?
The InChIKey is KDMNUDFGECBKAP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C25H21P2.4C4H8O.2ClH.Cr.Li/c2*1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;4*1-2-4-5-3-1;;;;/h2*1-21H;4*1-4H2;2*1H;;/q2*-1;;;;;;;+3;+1/p-2.
What are the key properties of lithium;chromium(3+);bis(diphenylphosphanylmethyl(diphenyl)phosphane);oxolane;dichloride?
lithium;chromium(3+);bis(diphenylphosphanylmethyl(diphenyl)phosphane);oxolane;dichloride has a molecular weight of 1185.05 g/mol, XLogP of 4.94, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;chromium(3+);bis(diphenylphosphanylmethyl(diphenyl)phosphane);oxolane;dichloride is sourced from PubChem (CID 139107768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).