copper(1+);bis(2-N-diphenylphosphanyl-6-N-diphenylphosphorylpyridine-2,6-diamine);perchlorate

C58H50ClCuN6O6P4 — CID 139171553

IUPACcopper(1+);bis(2-N-diphenylphosphanyl-6-N-diphenylphosphorylpyridine-2,6-diamine);perchlorate
SMILESO=P(Nc1cccc(NP(c2ccccc2)c2ccccc2)n1)(c1ccccc1)c1ccccc1.O=P(Nc1cccc(NP(c2ccccc2)c2ccccc2)n1)(c1ccccc1)c1ccccc1.[Cu+].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C29H25N3OP2.ClHO4.Cu/c2*33-35(26-18-9-3-10-19-26,27-20-11-4-12-21-27)32-29-23-13-22-28(30-29)31-34(24-14-5-1-6-15-24)25-16-7-2-8-17-25;2-1(3,4)5;/h2*1-23H,(H2,30,31,32,33);(H,2,3,4,5);/q;;;+1/p-1
InChIKeyRIRLLXCTVRCSNN-UHFFFAOYSA-M
MW1149.97 g/mol
LogP7.01
Rot. Bonds16

About copper(1+);bis(2-N-diphenylphosphanyl-6-N-diphenylphosphorylpyridine-2,6-diamine);perchlorate

copper(1+);bis(2-N-diphenylphosphanyl-6-N-diphenylphosphorylpyridine-2,6-diamine);perchlorate (PubChem CID 139171553) has the molecular formula C58H50ClCuN6O6P4 and a molecular weight of 1149.97 g/mol. Its IUPAC name is copper(1+);bis(2-N-diphenylphosphanyl-6-N-diphenylphosphorylpyridine-2,6-diamine);perchlorate.

Molecular Properties

Compound Namecopper(1+);bis(2-N-diphenylphosphanyl-6-N-diphenylphosphorylpyridine-2,6-diamine);perchlorate
PubChem CID139171553
Molecular FormulaC58H50ClCuN6O6P4
Molecular Weight1149.97 g/mol
Exact Mass1148.17
IUPAC Namecopper(1+);bis(2-N-diphenylphosphanyl-6-N-diphenylphosphorylpyridine-2,6-diamine);perchlorate
SMILESO=P(Nc1cccc(NP(c2ccccc2)c2ccccc2)n1)(c1ccccc1)c1ccccc1.O=P(Nc1cccc(NP(c2ccccc2)c2ccccc2)n1)(c1ccccc1)c1ccccc1.[Cu+].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C29H25N3OP2.ClHO4.Cu/c2*33-35(26-18-9-3-10-19-26,27-20-11-4-12-21-27)32-29-23-13-22-28(30-29)31-34(24-14-5-1-6-15-24)25-16-7-2-8-17-25;2-1(3,4)5;/h2*1-23H,(H2,30,31,32,33);(H,2,3,4,5);/q;;;+1/p-1
InChIKeyRIRLLXCTVRCSNN-UHFFFAOYSA-M
XLogP7.01
TPSA200.28 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001149.97
LogP ≤ 57.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

N-diphenylphosphoryl-6-methylpyridin-2-amine
CID 832984
calcium;dioxido-oxo-phenyl-λ5-phosphane;hydrate
CID 66599094
lithium [(diphenylphosphorylamino)-phenylphosphoryl]benzene
CID 59044615
copper;bis([(diphenylphosphorylamino)-phenylphosphoryl]benzene)
CID 175947269
4-N-diphenylphosphorylbenzene-1,4-diamine
CID 71676342
4-(diphenylphosphorylamino)phenol
CID 21072103
N-diphenylphosphoryl-4-fluoroaniline
CID 23234466
N-diphenylphosphoryl-2,6-di(propan-2-yl)aniline
CID 102170611
4-N-diphenylphosphoryl-1-N-[methyl(phenyl)phosphoryl]benzene-1,4-diamine
CID 71676353
2,6-bis(diphenylphosphoryl)pyridine;hydrate
CID 139170088
N-diphenylphosphanylmethanamine
CID 11365917
lithium diphenylphosphinate
CID 23680317

Frequently Asked Questions

What is the IUPAC name of copper(1+);bis(2-N-diphenylphosphanyl-6-N-diphenylphosphorylpyridine-2,6-diamine);perchlorate?
The IUPAC name of copper(1+);bis(2-N-diphenylphosphanyl-6-N-diphenylphosphorylpyridine-2,6-diamine);perchlorate (CID 139171553) is copper(1+);bis(2-N-diphenylphosphanyl-6-N-diphenylphosphorylpyridine-2,6-diamine);perchlorate.
What is the SMILES notation for copper(1+);bis(2-N-diphenylphosphanyl-6-N-diphenylphosphorylpyridine-2,6-diamine);perchlorate?
The canonical SMILES for copper(1+);bis(2-N-diphenylphosphanyl-6-N-diphenylphosphorylpyridine-2,6-diamine);perchlorate is O=P(Nc1cccc(NP(c2ccccc2)c2ccccc2)n1)(c1ccccc1)c1ccccc1.O=P(Nc1cccc(NP(c2ccccc2)c2ccccc2)n1)(c1ccccc1)c1ccccc1.[Cu+].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of copper(1+);bis(2-N-diphenylphosphanyl-6-N-diphenylphosphorylpyridine-2,6-diamine);perchlorate?
The InChIKey is RIRLLXCTVRCSNN-UHFFFAOYSA-M. The full InChI is InChI=1S/2C29H25N3OP2.ClHO4.Cu/c2*33-35(26-18-9-3-10-19-26,27-20-11-4-12-21-27)32-29-23-13-22-28(30-29)31-34(24-14-5-1-6-15-24)25-16-7-2-8-17-25;2-1(3,4)5;/h2*1-23H,(H2,30,31,32,33);(H,2,3,4,5);/q;;;+1/p-1.
What are the key properties of copper(1+);bis(2-N-diphenylphosphanyl-6-N-diphenylphosphorylpyridine-2,6-diamine);perchlorate?
copper(1+);bis(2-N-diphenylphosphanyl-6-N-diphenylphosphorylpyridine-2,6-diamine);perchlorate has a molecular weight of 1149.97 g/mol, XLogP of 7.01, 16 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);bis(2-N-diphenylphosphanyl-6-N-diphenylphosphorylpyridine-2,6-diamine);perchlorate is sourced from PubChem (CID 139171553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).