(C,N-diphenylcarbonimidoyl)-(4-methylphenyl)azanide;phenylmercury(1+)

C26H22HgN2 — CID 6915725

IUPAC(C,N-diphenylcarbonimidoyl)-(4-methylphenyl)azanide;phenylmercury(1+)
SMILESCc1ccc([N-]/C(=N/c2ccccc2)c2ccccc2)cc1.[Hg+]c1ccccc1
InChIInChI=1S/C20H17N2.C6H5.Hg/c1-16-12-14-19(15-13-16)22-20(17-8-4-2-5-9-17)21-18-10-6-3-7-11-18;1-2-4-6-5-3-1;/h2-15H,1H3;1-5H;/q-1;;+1
InChIKeyFPISMYPJLRXDKF-UHFFFAOYSA-N
MW563.07 g/mol
LogP6.64
Rot. Bonds3

About (C,N-diphenylcarbonimidoyl)-(4-methylphenyl)azanide;phenylmercury(1+)

(C,N-diphenylcarbonimidoyl)-(4-methylphenyl)azanide;phenylmercury(1+) (PubChem CID 6915725) has the molecular formula C26H22HgN2 and a molecular weight of 563.07 g/mol. Its IUPAC name is (C,N-diphenylcarbonimidoyl)-(4-methylphenyl)azanide;phenylmercury(1+).

Molecular Properties

Compound Name(C,N-diphenylcarbonimidoyl)-(4-methylphenyl)azanide;phenylmercury(1+)
PubChem CID6915725
Molecular FormulaC26H22HgN2
Molecular Weight563.07 g/mol
Exact Mass564.15
IUPAC Name(C,N-diphenylcarbonimidoyl)-(4-methylphenyl)azanide;phenylmercury(1+)
SMILESCc1ccc([N-]/C(=N/c2ccccc2)c2ccccc2)cc1.[Hg+]c1ccccc1
InChIInChI=1S/C20H17N2.C6H5.Hg/c1-16-12-14-19(15-13-16)22-20(17-8-4-2-5-9-17)21-18-10-6-3-7-11-18;1-2-4-6-5-3-1;/h2-15H,1H3;1-5H;/q-1;;+1
InChIKeyFPISMYPJLRXDKF-UHFFFAOYSA-N
XLogP6.64
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.07
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis((C,N-diphenylcarbonimidoyl)-phenylazanide);palladium(2+)
CID 139129664
1,1-bis(3-methylphenyl)-N-phenylmethanimine
CID 59167245
1-cyclopenta-2,4-dien-1-yl-N-(4-methylphenyl)-1-phenylmethanimine
CID 15182209
sodium N-phenylbenzenecarboximidate
CID 101478237
N-(dimethylaminomethylidene)-N'-(4-methylphenyl)benzenecarboximidamide
CID 10912424
2,4-dimethyl-N-phenylpentan-3-imine
CID 14316363
(NZ)-N-[(4-methylphenyl)-phenylmethylidene]hydroxylamine
CID 6303063
N-(1,3-dithiolan-2-ylidene)-N'-(4-methylphenyl)benzenecarboximidamide
CID 56693253
gallium;[(E)-1,3-diphenyl-3-phenyliminoprop-1-enyl]-phenylazanide;dichloride
CID 122211060
benzene;bis(1,4-xylene)
CID 159472747
nitrous acid;toluene
CID 156614054
1-di(propan-2-yl)phosphanyl-N,1-diphenylmethanimine
CID 122373224

Frequently Asked Questions

What is the IUPAC name of (C,N-diphenylcarbonimidoyl)-(4-methylphenyl)azanide;phenylmercury(1+)?
The IUPAC name of (C,N-diphenylcarbonimidoyl)-(4-methylphenyl)azanide;phenylmercury(1+) (CID 6915725) is (C,N-diphenylcarbonimidoyl)-(4-methylphenyl)azanide;phenylmercury(1+).
What is the SMILES notation for (C,N-diphenylcarbonimidoyl)-(4-methylphenyl)azanide;phenylmercury(1+)?
The canonical SMILES for (C,N-diphenylcarbonimidoyl)-(4-methylphenyl)azanide;phenylmercury(1+) is Cc1ccc([N-]/C(=N/c2ccccc2)c2ccccc2)cc1.[Hg+]c1ccccc1.
What is the InChIKey of (C,N-diphenylcarbonimidoyl)-(4-methylphenyl)azanide;phenylmercury(1+)?
The InChIKey is FPISMYPJLRXDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N2.C6H5.Hg/c1-16-12-14-19(15-13-16)22-20(17-8-4-2-5-9-17)21-18-10-6-3-7-11-18;1-2-4-6-5-3-1;/h2-15H,1H3;1-5H;/q-1;;+1.
What are the key properties of (C,N-diphenylcarbonimidoyl)-(4-methylphenyl)azanide;phenylmercury(1+)?
(C,N-diphenylcarbonimidoyl)-(4-methylphenyl)azanide;phenylmercury(1+) has a molecular weight of 563.07 g/mol, XLogP of 6.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (C,N-diphenylcarbonimidoyl)-(4-methylphenyl)azanide;phenylmercury(1+) is sourced from PubChem (CID 6915725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).