bis(copper(1+));bis(N-(diphenylphosphanylmethyl)-N-[[10-[[diphenylphosphanylmethyl(propyl)amino]methyl]anthracen-9-yl]methyl]propan-1-amine);diperchlorate

C96H100Cl2Cu2N4O8P4 — CID 11982603

IUPACbis(copper(1+));bis(N-(diphenylphosphanylmethyl)-N-[[10-[[diphenylphosphanylmethyl(propyl)amino]methyl]anthracen-9-yl]methyl]propan-1-amine);diperchlorate
SMILESCCCN(Cc1c2ccccc2c(CN(CCC)CP(c2ccccc2)c2ccccc2)c2ccccc12)CP(c1ccccc1)c1ccccc1.CCCN(Cc1c2ccccc2c(CN(CCC)CP(c2ccccc2)c2ccccc2)c2ccccc12)CP(c1ccccc1)c1ccccc1.[Cu+].[Cu+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C48H50N2P2.2ClHO4.2Cu/c2*1-3-33-49(37-51(39-21-9-5-10-22-39)40-23-11-6-12-24-40)35-47-43-29-17-19-31-45(43)48(46-32-20-18-30-44(46)47)36-50(34-4-2)38-52(41-25-13-7-14-26-41)42-27-15-8-16-28-42;2*2-1(3,4)5;;/h2*5-32H,3-4,33-38H2,1-2H3;2*(H,2,3,4,5);;/q;;;;2*+1/p-2
InChIKeyMOMWFMXGVQJJRZ-UHFFFAOYSA-L
MW1759.77 g/mol
LogP11.68
Rot. Bonds32

About bis(copper(1+));bis(N-(diphenylphosphanylmethyl)-N-[[10-[[diphenylphosphanylmethyl(propyl)amino]methyl]anthracen-9-yl]methyl]propan-1-amine);diperchlorate

bis(copper(1+));bis(N-(diphenylphosphanylmethyl)-N-[[10-[[diphenylphosphanylmethyl(propyl)amino]methyl]anthracen-9-yl]methyl]propan-1-amine);diperchlorate (PubChem CID 11982603) has the molecular formula C96H100Cl2Cu2N4O8P4 and a molecular weight of 1759.77 g/mol. Its IUPAC name is bis(copper(1+));bis(N-(diphenylphosphanylmethyl)-N-[[10-[[diphenylphosphanylmethyl(propyl)amino]methyl]anthracen-9-yl]methyl]propan-1-amine);diperchlorate.

Molecular Properties

Compound Namebis(copper(1+));bis(N-(diphenylphosphanylmethyl)-N-[[10-[[diphenylphosphanylmethyl(propyl)amino]methyl]anthracen-9-yl]methyl]propan-1-amine);diperchlorate
PubChem CID11982603
Molecular FormulaC96H100Cl2Cu2N4O8P4
Molecular Weight1759.77 g/mol
Exact Mass1756.45
IUPAC Namebis(copper(1+));bis(N-(diphenylphosphanylmethyl)-N-[[10-[[diphenylphosphanylmethyl(propyl)amino]methyl]anthracen-9-yl]methyl]propan-1-amine);diperchlorate
SMILESCCCN(Cc1c2ccccc2c(CN(CCC)CP(c2ccccc2)c2ccccc2)c2ccccc12)CP(c1ccccc1)c1ccccc1.CCCN(Cc1c2ccccc2c(CN(CCC)CP(c2ccccc2)c2ccccc2)c2ccccc12)CP(c1ccccc1)c1ccccc1.[Cu+].[Cu+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C48H50N2P2.2ClHO4.2Cu/c2*1-3-33-49(37-51(39-21-9-5-10-22-39)40-23-11-6-12-24-40)35-47-43-29-17-19-31-45(43)48(46-32-20-18-30-44(46)47)36-50(34-4-2)38-52(41-25-13-7-14-26-41)42-27-15-8-16-28-42;2*2-1(3,4)5;;/h2*5-32H,3-4,33-38H2,1-2H3;2*(H,2,3,4,5);;/q;;;;2*+1/p-2
InChIKeyMOMWFMXGVQJJRZ-UHFFFAOYSA-L
XLogP11.68
TPSA197.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds32
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001759.77
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

bis(acetonitrile);bis(copper(1+));bis(2-diphenylphosphanylethyl(diphenyl)phosphane);perchlorate
CID 10441227
pentakis(acetonitrile);bis(copper(1+));2-diphenylphosphanylethyl(diphenyl)phosphane;perchlorate
CID 10395690
3-[bis(diphenylphosphanylmethyl)amino]propan-1-ol
CID 101203232
bis(acetonitrile);bis(copper(1+));tris(2-diphenylphosphanylethyl(diphenyl)phosphane);diperchlorate
CID 11982236
N-diphenylphosphanyl-N-[[10-[[diphenylphosphanyl(ethyl)amino]methyl]anthracen-9-yl]methyl]ethanamine
CID 101046937
N,N-dibenzylpropan-1-amine
CID 10840212
N-benzyl-N-propylbutan-1-amine;ethane
CID 143530424
butane;triphenylphosphane
CID 161447439
N,N-bis(2-diphenylphosphanylethyl)propan-1-amine;dichlororuthenium;2-phenylethanethial
CID 11040067
N,N-dipropylpropan-1-amine;toluene
CID 142167047
4-[benzyl(propyl)amino]butan-1-ol
CID 130822527
2-[(2-hydroxynaphthalen-1-yl)methyl-propylamino]acetic acid
CID 65065277

Frequently Asked Questions

What is the IUPAC name of bis(copper(1+));bis(N-(diphenylphosphanylmethyl)-N-[[10-[[diphenylphosphanylmethyl(propyl)amino]methyl]anthracen-9-yl]methyl]propan-1-amine);diperchlorate?
The IUPAC name of bis(copper(1+));bis(N-(diphenylphosphanylmethyl)-N-[[10-[[diphenylphosphanylmethyl(propyl)amino]methyl]anthracen-9-yl]methyl]propan-1-amine);diperchlorate (CID 11982603) is bis(copper(1+));bis(N-(diphenylphosphanylmethyl)-N-[[10-[[diphenylphosphanylmethyl(propyl)amino]methyl]anthracen-9-yl]methyl]propan-1-amine);diperchlorate.
What is the SMILES notation for bis(copper(1+));bis(N-(diphenylphosphanylmethyl)-N-[[10-[[diphenylphosphanylmethyl(propyl)amino]methyl]anthracen-9-yl]methyl]propan-1-amine);diperchlorate?
The canonical SMILES for bis(copper(1+));bis(N-(diphenylphosphanylmethyl)-N-[[10-[[diphenylphosphanylmethyl(propyl)amino]methyl]anthracen-9-yl]methyl]propan-1-amine);diperchlorate is CCCN(Cc1c2ccccc2c(CN(CCC)CP(c2ccccc2)c2ccccc2)c2ccccc12)CP(c1ccccc1)c1ccccc1.CCCN(Cc1c2ccccc2c(CN(CCC)CP(c2ccccc2)c2ccccc2)c2ccccc12)CP(c1ccccc1)c1ccccc1.[Cu+].[Cu+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of bis(copper(1+));bis(N-(diphenylphosphanylmethyl)-N-[[10-[[diphenylphosphanylmethyl(propyl)amino]methyl]anthracen-9-yl]methyl]propan-1-amine);diperchlorate?
The InChIKey is MOMWFMXGVQJJRZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C48H50N2P2.2ClHO4.2Cu/c2*1-3-33-49(37-51(39-21-9-5-10-22-39)40-23-11-6-12-24-40)35-47-43-29-17-19-31-45(43)48(46-32-20-18-30-44(46)47)36-50(34-4-2)38-52(41-25-13-7-14-26-41)42-27-15-8-16-28-42;2*2-1(3,4)5;;/h2*5-32H,3-4,33-38H2,1-2H3;2*(H,2,3,4,5);;/q;;;;2*+1/p-2.
What are the key properties of bis(copper(1+));bis(N-(diphenylphosphanylmethyl)-N-[[10-[[diphenylphosphanylmethyl(propyl)amino]methyl]anthracen-9-yl]methyl]propan-1-amine);diperchlorate?
bis(copper(1+));bis(N-(diphenylphosphanylmethyl)-N-[[10-[[diphenylphosphanylmethyl(propyl)amino]methyl]anthracen-9-yl]methyl]propan-1-amine);diperchlorate has a molecular weight of 1759.77 g/mol, XLogP of 11.68, 32 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(copper(1+));bis(N-(diphenylphosphanylmethyl)-N-[[10-[[diphenylphosphanylmethyl(propyl)amino]methyl]anthracen-9-yl]methyl]propan-1-amine);diperchlorate is sourced from PubChem (CID 11982603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).