dichlorochromium;bis(diphenylphosphorylbenzene)

C36H30Cl2CrO2P2 — CID 23290734

IUPACdichlorochromium;bis(diphenylphosphorylbenzene)
SMILESCl[Cr]Cl.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.O=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C18H15OP.2ClH.Cr/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;2*1H;/q;;;;+2/p-2
InChIKeyZSSKVSCPHSXOFA-UHFFFAOYSA-L
MW679.48 g/mol
LogP8.03
Rot. Bonds6

About dichlorochromium;bis(diphenylphosphorylbenzene)

dichlorochromium;bis(diphenylphosphorylbenzene) (PubChem CID 23290734) has the molecular formula C36H30Cl2CrO2P2 and a molecular weight of 679.48 g/mol. Its IUPAC name is dichlorochromium;bis(diphenylphosphorylbenzene).

Molecular Properties

Compound Namedichlorochromium;bis(diphenylphosphorylbenzene)
PubChem CID23290734
Molecular FormulaC36H30Cl2CrO2P2
Molecular Weight679.48 g/mol
Exact Mass678.05
IUPAC Namedichlorochromium;bis(diphenylphosphorylbenzene)
SMILESCl[Cr]Cl.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.O=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C18H15OP.2ClH.Cr/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;2*1H;/q;;;;+2/p-2
InChIKeyZSSKVSCPHSXOFA-UHFFFAOYSA-L
XLogP8.03
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.48
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diphenylphosphorylbenzene;terbium
CID 86595283
diiodocobalt;bis(diphenylphosphorylbenzene)
CID 154702808
diphenylphosphorylbenzene;oxirene
CID 174881764
1-diphenylphosphoryl-3-(3-diphenylphosphorylphenyl)benzene
CID 88865103
1-(4-diphenylphosphorylphenyl)-4-methylbenzene
CID 11233983
1,3-bis(4-diphenylphosphorylphenyl)benzene
CID 102485161
3-diphenylphosphorylphenanthrene
CID 170944174
1-[[3,5-bis(diphenylphosphoryl)phenyl]methyl]-3,5-bis(diphenylphosphoryl)benzene
CID 58298983
1-diphenylphosphoryl-4-[(4-diphenylphosphorylphenyl)methyl]benzene;ethane
CID 160886061
diphenylphosphinic acid chloride
CID 53401992
[chloro(phenyl)phosphoryl]benzene;phosphoryl trichloride
CID 174876703
1-[2,4-bis(diphenylphosphoryl)phenoxy]-2,4-bis(diphenylphosphoryl)benzene
CID 132556763

Frequently Asked Questions

What is the IUPAC name of dichlorochromium;bis(diphenylphosphorylbenzene)?
The IUPAC name of dichlorochromium;bis(diphenylphosphorylbenzene) (CID 23290734) is dichlorochromium;bis(diphenylphosphorylbenzene).
What is the SMILES notation for dichlorochromium;bis(diphenylphosphorylbenzene)?
The canonical SMILES for dichlorochromium;bis(diphenylphosphorylbenzene) is Cl[Cr]Cl.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of dichlorochromium;bis(diphenylphosphorylbenzene)?
The InChIKey is ZSSKVSCPHSXOFA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H15OP.2ClH.Cr/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;2*1H;/q;;;;+2/p-2.
What are the key properties of dichlorochromium;bis(diphenylphosphorylbenzene)?
dichlorochromium;bis(diphenylphosphorylbenzene) has a molecular weight of 679.48 g/mol, XLogP of 8.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorochromium;bis(diphenylphosphorylbenzene) is sourced from PubChem (CID 23290734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).