bis[2-[di(propan-2-yl)amino]phenyl]-propan-2-ylphosphanium;copper;(2,4,6-triphenylphenyl)azanide

C51H62CuN3P — CID 140754411

IUPACbis[2-[di(propan-2-yl)amino]phenyl]-propan-2-ylphosphanium;copper;(2,4,6-triphenylphenyl)azanide
SMILESCC(C)N(c1ccccc1[PH+](c1ccccc1N(C(C)C)C(C)C)C(C)C)C(C)C.[Cu].[NH-]c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C27H43N2P.C24H18N.Cu/c1-19(2)28(20(3)4)24-15-11-13-17-26(24)30(23(9)10)27-18-14-12-16-25(27)29(21(5)6)22(7)8;25-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;/h11-23H,1-10H3;1-17,25H;/q;-1;/p+1
InChIKeyPZHSEBGLQRCWKR-UHFFFAOYSA-O
MW811.60 g/mol
LogP13.88
Rot. Bonds12

About bis[2-[di(propan-2-yl)amino]phenyl]-propan-2-ylphosphanium;copper;(2,4,6-triphenylphenyl)azanide

bis[2-[di(propan-2-yl)amino]phenyl]-propan-2-ylphosphanium;copper;(2,4,6-triphenylphenyl)azanide (PubChem CID 140754411) has the molecular formula C51H62CuN3P and a molecular weight of 811.60 g/mol. Its IUPAC name is bis[2-[di(propan-2-yl)amino]phenyl]-propan-2-ylphosphanium;copper;(2,4,6-triphenylphenyl)azanide.

Molecular Properties

Compound Namebis[2-[di(propan-2-yl)amino]phenyl]-propan-2-ylphosphanium;copper;(2,4,6-triphenylphenyl)azanide
PubChem CID140754411
Molecular FormulaC51H62CuN3P
Molecular Weight811.60 g/mol
Exact Mass810.40
IUPAC Namebis[2-[di(propan-2-yl)amino]phenyl]-propan-2-ylphosphanium;copper;(2,4,6-triphenylphenyl)azanide
SMILESCC(C)N(c1ccccc1[PH+](c1ccccc1N(C(C)C)C(C)C)C(C)C)C(C)C.[Cu].[NH-]c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C27H43N2P.C24H18N.Cu/c1-19(2)28(20(3)4)24-15-11-13-17-26(24)30(23(9)10)27-18-14-12-16-25(27)29(21(5)6)22(7)8;25-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;/h11-23H,1-10H3;1-17,25H;/q;-1;/p+1
InChIKeyPZHSEBGLQRCWKR-UHFFFAOYSA-O
XLogP13.88
TPSA30.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.60
LogP ≤ 513.88
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

2,4-diphenyl-N,N-di(propan-2-yl)aniline
CID 164746204
5-(3,5-diphenylphenyl)-2-methyl-1,3-diphenylbenzene
CID 58760870
2-fluoro-N,N-di(propan-2-yl)aniline
CID 67920255
ethane;N,N,2,4,6-pentakis-phenylaniline
CID 158163955
2-fluoro-1,3,5-triphenylbenzene
CID 146653815
ethane;1,3,5-triphenylbenzene
CID 142123051
1,3,5-triphenylbenzene
CID 158331433
4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216
N-[4-[3,5-bis[4-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
CID 87182000
1,1'-biphenyl;(2S)-2-[N-(2-methylpropanoyl)-2-phenylanilino]propanoic acid
CID 69463579
1,2,4-triphenylbenzene;1,3,5-triphenylbenzene
CID 162004033
2,4,6-tris(4-phenylphenyl)aniline
CID 4248420

Frequently Asked Questions

What is the IUPAC name of bis[2-[di(propan-2-yl)amino]phenyl]-propan-2-ylphosphanium;copper;(2,4,6-triphenylphenyl)azanide?
The IUPAC name of bis[2-[di(propan-2-yl)amino]phenyl]-propan-2-ylphosphanium;copper;(2,4,6-triphenylphenyl)azanide (CID 140754411) is bis[2-[di(propan-2-yl)amino]phenyl]-propan-2-ylphosphanium;copper;(2,4,6-triphenylphenyl)azanide.
What is the SMILES notation for bis[2-[di(propan-2-yl)amino]phenyl]-propan-2-ylphosphanium;copper;(2,4,6-triphenylphenyl)azanide?
The canonical SMILES for bis[2-[di(propan-2-yl)amino]phenyl]-propan-2-ylphosphanium;copper;(2,4,6-triphenylphenyl)azanide is CC(C)N(c1ccccc1[PH+](c1ccccc1N(C(C)C)C(C)C)C(C)C)C(C)C.[Cu].[NH-]c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of bis[2-[di(propan-2-yl)amino]phenyl]-propan-2-ylphosphanium;copper;(2,4,6-triphenylphenyl)azanide?
The InChIKey is PZHSEBGLQRCWKR-UHFFFAOYSA-O. The full InChI is InChI=1S/C27H43N2P.C24H18N.Cu/c1-19(2)28(20(3)4)24-15-11-13-17-26(24)30(23(9)10)27-18-14-12-16-25(27)29(21(5)6)22(7)8;25-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;/h11-23H,1-10H3;1-17,25H;/q;-1;/p+1.
What are the key properties of bis[2-[di(propan-2-yl)amino]phenyl]-propan-2-ylphosphanium;copper;(2,4,6-triphenylphenyl)azanide?
bis[2-[di(propan-2-yl)amino]phenyl]-propan-2-ylphosphanium;copper;(2,4,6-triphenylphenyl)azanide has a molecular weight of 811.60 g/mol, XLogP of 13.88, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[di(propan-2-yl)amino]phenyl]-propan-2-ylphosphanium;copper;(2,4,6-triphenylphenyl)azanide is sourced from PubChem (CID 140754411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).