benzene;bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);bis((4-methylphenyl)sulfonyl-pent-4-enylazanide);bis(palladium(2+));dichloride

C66H86Cl2N6O4Pd2S2 — CID 139116790

IUPACbenzene;bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);bis((4-methylphenyl)sulfonyl-pent-4-enylazanide);bis(palladium(2+));dichloride
SMILESC=CCCC[N-]S(=O)(=O)c1ccc(C)cc1.C=CCCC[N-]S(=O)(=O)c1ccc(C)cc1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.[Cl-].[Cl-].[Pd+2].[Pd+2].c1ccccc1
InChIInChI=1S/2C18H24N2.2C12H16NO2S.C6H6.2ClH.2Pd/c2*1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;2*1-3-4-5-10-13-16(14,15)12-8-6-11(2)7-9-12;1-2-4-6-5-3-1;;;;/h2*7-12H,1-6H3;2*3,6-9H,1,4-5,10H2,2H3;1-6H;2*1H;;/q;;2*-1;;;;2*+2/p-2
InChIKeyCKMHFOKGUWBHGS-UHFFFAOYSA-L
MW1375.33 g/mol
LogP11.21
Rot. Bonds14

About benzene;bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);bis((4-methylphenyl)sulfonyl-pent-4-enylazanide);bis(palladium(2+));dichloride

benzene;bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);bis((4-methylphenyl)sulfonyl-pent-4-enylazanide);bis(palladium(2+));dichloride (PubChem CID 139116790) has the molecular formula C66H86Cl2N6O4Pd2S2 and a molecular weight of 1375.33 g/mol. Its IUPAC name is benzene;bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);bis((4-methylphenyl)sulfonyl-pent-4-enylazanide);bis(palladium(2+));dichloride.

Molecular Properties

Compound Namebenzene;bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);bis((4-methylphenyl)sulfonyl-pent-4-enylazanide);bis(palladium(2+));dichloride
PubChem CID139116790
Molecular FormulaC66H86Cl2N6O4Pd2S2
Molecular Weight1375.33 g/mol
Exact Mass1372.36
IUPAC Namebenzene;bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);bis((4-methylphenyl)sulfonyl-pent-4-enylazanide);bis(palladium(2+));dichloride
SMILESC=CCCC[N-]S(=O)(=O)c1ccc(C)cc1.C=CCCC[N-]S(=O)(=O)c1ccc(C)cc1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.[Cl-].[Cl-].[Pd+2].[Pd+2].c1ccccc1
InChIInChI=1S/2C18H24N2.2C12H16NO2S.C6H6.2ClH.2Pd/c2*1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;2*1-3-4-5-10-13-16(14,15)12-8-6-11(2)7-9-12;1-2-4-6-5-3-1;;;;/h2*7-12H,1-6H3;2*3,6-9H,1,4-5,10H2,2H3;1-6H;2*1H;;/q;;2*-1;;;;2*+2/p-2
InChIKeyCKMHFOKGUWBHGS-UHFFFAOYSA-L
XLogP11.21
TPSA148.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001375.33
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze benzene;bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);bis((4-methylphenyl)sulfonyl-pent-4-enylazanide);bis(palladium(2+));dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzene;bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);bis((4-methylphenyl)sulfonyl-pent-4-enylazanide);bis(palladium(2+));dichloride?
The IUPAC name of benzene;bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);bis((4-methylphenyl)sulfonyl-pent-4-enylazanide);bis(palladium(2+));dichloride (CID 139116790) is benzene;bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);bis((4-methylphenyl)sulfonyl-pent-4-enylazanide);bis(palladium(2+));dichloride.
What is the SMILES notation for benzene;bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);bis((4-methylphenyl)sulfonyl-pent-4-enylazanide);bis(palladium(2+));dichloride?
The canonical SMILES for benzene;bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);bis((4-methylphenyl)sulfonyl-pent-4-enylazanide);bis(palladium(2+));dichloride is C=CCCC[N-]S(=O)(=O)c1ccc(C)cc1.C=CCCC[N-]S(=O)(=O)c1ccc(C)cc1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.[Cl-].[Cl-].[Pd+2].[Pd+2].c1ccccc1.
What is the InChIKey of benzene;bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);bis((4-methylphenyl)sulfonyl-pent-4-enylazanide);bis(palladium(2+));dichloride?
The InChIKey is CKMHFOKGUWBHGS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H24N2.2C12H16NO2S.C6H6.2ClH.2Pd/c2*1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;2*1-3-4-5-10-13-16(14,15)12-8-6-11(2)7-9-12;1-2-4-6-5-3-1;;;;/h2*7-12H,1-6H3;2*3,6-9H,1,4-5,10H2,2H3;1-6H;2*1H;;/q;;2*-1;;;;2*+2/p-2.
What are the key properties of benzene;bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);bis((4-methylphenyl)sulfonyl-pent-4-enylazanide);bis(palladium(2+));dichloride?
benzene;bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);bis((4-methylphenyl)sulfonyl-pent-4-enylazanide);bis(palladium(2+));dichloride has a molecular weight of 1375.33 g/mol, XLogP of 11.21, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);bis((4-methylphenyl)sulfonyl-pent-4-enylazanide);bis(palladium(2+));dichloride is sourced from PubChem (CID 139116790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).