copper;bis([(diphenylphosphorylamino)-phenylphosphoryl]benzene)

C48H42CuN2O4P4 — CID 175947269

IUPACcopper;bis([(diphenylphosphorylamino)-phenylphosphoryl]benzene)
SMILESO=P(NP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O=P(NP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Cu]
InChIInChI=1S/2C24H21NO2P2.Cu/c2*26-28(21-13-5-1-6-14-21,22-15-7-2-8-16-22)25-29(27,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h2*1-20H,(H,25,26,27);
InChIKeyHJAKVGDNFZQIGE-UHFFFAOYSA-N
MW898.32 g/mol
LogP8.87
Rot. Bonds12

About copper;bis([(diphenylphosphorylamino)-phenylphosphoryl]benzene)

copper;bis([(diphenylphosphorylamino)-phenylphosphoryl]benzene) (PubChem CID 175947269) has the molecular formula C48H42CuN2O4P4 and a molecular weight of 898.32 g/mol. Its IUPAC name is copper;bis([(diphenylphosphorylamino)-phenylphosphoryl]benzene).

Molecular Properties

Compound Namecopper;bis([(diphenylphosphorylamino)-phenylphosphoryl]benzene)
PubChem CID175947269
Molecular FormulaC48H42CuN2O4P4
Molecular Weight898.32 g/mol
Exact Mass897.14
IUPAC Namecopper;bis([(diphenylphosphorylamino)-phenylphosphoryl]benzene)
SMILESO=P(NP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O=P(NP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Cu]
InChIInChI=1S/2C24H21NO2P2.Cu/c2*26-28(21-13-5-1-6-14-21,22-15-7-2-8-16-22)25-29(27,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h2*1-20H,(H,25,26,27);
InChIKeyHJAKVGDNFZQIGE-UHFFFAOYSA-N
XLogP8.87
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500898.32
LogP ≤ 58.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

lithium [(diphenylphosphorylamino)-phenylphosphoryl]benzene
CID 59044615
diphenylphosphorylbenzene;terbium
CID 86595283
N-diphenylphosphoryl-4-fluoroaniline
CID 23234466
4-(diphenylphosphorylamino)phenol
CID 21072103
4-N-diphenylphosphorylbenzene-1,4-diamine
CID 71676342
diiodocobalt;bis(diphenylphosphorylbenzene)
CID 154702808
dichlorochromium;bis(diphenylphosphorylbenzene)
CID 23290734
diphenylphosphorylbenzene;oxirene
CID 174881764
4-N-diphenylphosphoryl-1-N-[methyl(phenyl)phosphoryl]benzene-1,4-diamine
CID 71676353
[[(1E,3E)-4-diphenylphosphorylbuta-1,3-dienyl]-phenylphosphoryl]benzene
CID 102152479
diphenylphosphorylazanide
CID 18705552
N-diphenylphosphoryl-1-fluoren-9-ylidenemethanamine
CID 134933697

Frequently Asked Questions

What is the IUPAC name of copper;bis([(diphenylphosphorylamino)-phenylphosphoryl]benzene)?
The IUPAC name of copper;bis([(diphenylphosphorylamino)-phenylphosphoryl]benzene) (CID 175947269) is copper;bis([(diphenylphosphorylamino)-phenylphosphoryl]benzene).
What is the SMILES notation for copper;bis([(diphenylphosphorylamino)-phenylphosphoryl]benzene)?
The canonical SMILES for copper;bis([(diphenylphosphorylamino)-phenylphosphoryl]benzene) is O=P(NP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O=P(NP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Cu].
What is the InChIKey of copper;bis([(diphenylphosphorylamino)-phenylphosphoryl]benzene)?
The InChIKey is HJAKVGDNFZQIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H21NO2P2.Cu/c2*26-28(21-13-5-1-6-14-21,22-15-7-2-8-16-22)25-29(27,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h2*1-20H,(H,25,26,27);.
What are the key properties of copper;bis([(diphenylphosphorylamino)-phenylphosphoryl]benzene)?
copper;bis([(diphenylphosphorylamino)-phenylphosphoryl]benzene) has a molecular weight of 898.32 g/mol, XLogP of 8.87, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis([(diphenylphosphorylamino)-phenylphosphoryl]benzene) is sourced from PubChem (CID 175947269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).