bis((C,N-diphenylcarbonimidoyl)-phenylazanide);palladium(2+)

C38H30N4Pd — CID 139129664

IUPACbis((C,N-diphenylcarbonimidoyl)-phenylazanide);palladium(2+)
SMILES[Pd+2].c1ccc(/N=C(/[N-]c2ccccc2)c2ccccc2)cc1.c1ccc(/N=C(/[N-]c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C19H15N2.Pd/c2*1-4-10-16(11-5-1)19(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;/h2*1-15H;/q2*-1;+2
InChIKeyFBSJDYQQYRZQCU-UHFFFAOYSA-N
MW649.11 g/mol
LogP10.94
Rot. Bonds6

About bis((C,N-diphenylcarbonimidoyl)-phenylazanide);palladium(2+)

bis((C,N-diphenylcarbonimidoyl)-phenylazanide);palladium(2+) (PubChem CID 139129664) has the molecular formula C38H30N4Pd and a molecular weight of 649.11 g/mol. Its IUPAC name is bis((C,N-diphenylcarbonimidoyl)-phenylazanide);palladium(2+).

Molecular Properties

Compound Namebis((C,N-diphenylcarbonimidoyl)-phenylazanide);palladium(2+)
PubChem CID139129664
Molecular FormulaC38H30N4Pd
Molecular Weight649.11 g/mol
Exact Mass648.15
IUPAC Namebis((C,N-diphenylcarbonimidoyl)-phenylazanide);palladium(2+)
SMILES[Pd+2].c1ccc(/N=C(/[N-]c2ccccc2)c2ccccc2)cc1.c1ccc(/N=C(/[N-]c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C19H15N2.Pd/c2*1-4-10-16(11-5-1)19(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;/h2*1-15H;/q2*-1;+2
InChIKeyFBSJDYQQYRZQCU-UHFFFAOYSA-N
XLogP10.94
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.11
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(C,N-diphenylcarbonimidoyl)-(4-methylphenyl)azanide;phenylmercury(1+)
CID 6915725
gallium;[(E)-1,3-diphenyl-3-phenyliminoprop-1-enyl]-phenylazanide;dichloride
CID 122211060
sodium N-phenylbenzenecarboximidate
CID 101478237
dodecakis((N,N-dimethyl-N'-phenylcarbamimidoyl)-phenylazanide);tetrakis(iridium);tetrahexafluorophosphate
CID 139115553
bis([(E)-3-chloro-4-phenyliminopent-2-en-2-yl]-phenylazanide);bis(palladium(2+));diacetate
CID 139102637
2,4-dimethyl-N-phenylpentan-3-imine
CID 14316363
[N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]-[3-[N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]azanidylpropyl]azanide
CID 101430985
octakis([(Z)-N-(N,N-diethylcarbamimidoyl)-C-phenylcarbonimidoyl]-phenylazanide);tetrakis(platinum(2+))
CID 139129527
1-di(propan-2-yl)phosphanyl-N,1-diphenylmethanimine
CID 122373224
1,1-bis(3-methylphenyl)-N-phenylmethanimine
CID 59167245
2-phenyl-2-phenyliminoethanamine
CID 118895747
1-(4-chlorophenyl)-N,1-diphenylmethanimine
CID 2803926

Frequently Asked Questions

What is the IUPAC name of bis((C,N-diphenylcarbonimidoyl)-phenylazanide);palladium(2+)?
The IUPAC name of bis((C,N-diphenylcarbonimidoyl)-phenylazanide);palladium(2+) (CID 139129664) is bis((C,N-diphenylcarbonimidoyl)-phenylazanide);palladium(2+).
What is the SMILES notation for bis((C,N-diphenylcarbonimidoyl)-phenylazanide);palladium(2+)?
The canonical SMILES for bis((C,N-diphenylcarbonimidoyl)-phenylazanide);palladium(2+) is [Pd+2].c1ccc(/N=C(/[N-]c2ccccc2)c2ccccc2)cc1.c1ccc(/N=C(/[N-]c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis((C,N-diphenylcarbonimidoyl)-phenylazanide);palladium(2+)?
The InChIKey is FBSJDYQQYRZQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H15N2.Pd/c2*1-4-10-16(11-5-1)19(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;/h2*1-15H;/q2*-1;+2.
What are the key properties of bis((C,N-diphenylcarbonimidoyl)-phenylazanide);palladium(2+)?
bis((C,N-diphenylcarbonimidoyl)-phenylazanide);palladium(2+) has a molecular weight of 649.11 g/mol, XLogP of 10.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis((C,N-diphenylcarbonimidoyl)-phenylazanide);palladium(2+) is sourced from PubChem (CID 139129664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).