bromocopper;bis(ditert-butyl-(2-phenylphenyl)phosphane)

C40H54Br2Cu2P2 — CID 11308987

IUPACbromocopper;bis(ditert-butyl-(2-phenylphenyl)phosphane)
SMILESCC(C)(C)P(c1ccccc1-c1ccccc1)C(C)(C)C.CC(C)(C)P(c1ccccc1-c1ccccc1)C(C)(C)C.[Cu]Br.[Cu]Br
InChIInChI=1S/2C20H27P.2BrH.2Cu/c2*1-19(2,3)21(20(4,5)6)18-15-11-10-14-17(18)16-12-8-7-9-13-16;;;;/h2*7-15H,1-6H3;2*1H;;/q;;;;2*+1/p-2
InChIKeyRSWBSPNQDIVIPR-UHFFFAOYSA-L
MW883.72 g/mol
LogP13.80
Rot. Bonds4

About bromocopper;bis(ditert-butyl-(2-phenylphenyl)phosphane)

bromocopper;bis(ditert-butyl-(2-phenylphenyl)phosphane) (PubChem CID 11308987) has the molecular formula C40H54Br2Cu2P2 and a molecular weight of 883.72 g/mol. Its IUPAC name is bromocopper;bis(ditert-butyl-(2-phenylphenyl)phosphane).

Molecular Properties

Compound Namebromocopper;bis(ditert-butyl-(2-phenylphenyl)phosphane)
PubChem CID11308987
Molecular FormulaC40H54Br2Cu2P2
Molecular Weight883.72 g/mol
Exact Mass880.07
IUPAC Namebromocopper;bis(ditert-butyl-(2-phenylphenyl)phosphane)
SMILESCC(C)(C)P(c1ccccc1-c1ccccc1)C(C)(C)C.CC(C)(C)P(c1ccccc1-c1ccccc1)C(C)(C)C.[Cu]Br.[Cu]Br
InChIInChI=1S/2C20H27P.2BrH.2Cu/c2*1-19(2,3)21(20(4,5)6)18-15-11-10-14-17(18)16-12-8-7-9-13-16;;;;/h2*7-15H,1-6H3;2*1H;;/q;;;;2*+1/p-2
InChIKeyRSWBSPNQDIVIPR-UHFFFAOYSA-L
XLogP13.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.72
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ditert-butyl-(2,4-diphenylphenyl)phosphane
CID 174868751
ditert-butyl-[2-(2-propan-2-ylphenyl)phenyl]phosphane
CID 11348396
ditert-butyl-[2-(2,4,6-trimethoxy-3-phenylphenyl)phenyl]phosphane
CID 121483097
ditert-butyl-[2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
CID 122414025
ditert-butyl-(4-methyl-2,6-diphenylphenyl)phosphane
CID 139468098
1-[3,3-dimethylbutanoyl-(2-phenylphenyl)phosphanyl]-3,3-dimethylbutan-1-one
CID 69260618
ditert-butyl-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]phosphane
CID 139996228
dipentyl-(2-phenylphenyl)phosphane
CID 67449535
ditert-butyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane
CID 153323041
[2,3-bis(2-tert-butylphenyl)phenyl]-ditert-butylphosphane
CID 172805245
ditert-butyl-(4-phenyl-1H-inden-1-id-2-yl)phosphane;hafnium;dihydrochloride
CID 87865337
ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;dicyclohexyl-(2-methyl-3-phenylphenyl)phosphane
CID 87094403

Frequently Asked Questions

What is the IUPAC name of bromocopper;bis(ditert-butyl-(2-phenylphenyl)phosphane)?
The IUPAC name of bromocopper;bis(ditert-butyl-(2-phenylphenyl)phosphane) (CID 11308987) is bromocopper;bis(ditert-butyl-(2-phenylphenyl)phosphane).
What is the SMILES notation for bromocopper;bis(ditert-butyl-(2-phenylphenyl)phosphane)?
The canonical SMILES for bromocopper;bis(ditert-butyl-(2-phenylphenyl)phosphane) is CC(C)(C)P(c1ccccc1-c1ccccc1)C(C)(C)C.CC(C)(C)P(c1ccccc1-c1ccccc1)C(C)(C)C.[Cu]Br.[Cu]Br.
What is the InChIKey of bromocopper;bis(ditert-butyl-(2-phenylphenyl)phosphane)?
The InChIKey is RSWBSPNQDIVIPR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C20H27P.2BrH.2Cu/c2*1-19(2,3)21(20(4,5)6)18-15-11-10-14-17(18)16-12-8-7-9-13-16;;;;/h2*7-15H,1-6H3;2*1H;;/q;;;;2*+1/p-2.
What are the key properties of bromocopper;bis(ditert-butyl-(2-phenylphenyl)phosphane)?
bromocopper;bis(ditert-butyl-(2-phenylphenyl)phosphane) has a molecular weight of 883.72 g/mol, XLogP of 13.80, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromocopper;bis(ditert-butyl-(2-phenylphenyl)phosphane) is sourced from PubChem (CID 11308987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).