N-[4-[5-bromo-3-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;bis(palladium);tetrahydrochloride

C43H51BrCl4N4Pd2 — CID 173107377

IUPACN-[4-[5-bromo-3-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;bis(palladium);tetrahydrochloride
SMILESCc1c(-c2cc(C(C)C)c(/N=C/c3ccccn3)c(C(C)C)c2)cc(Br)cc1-c1cc(C(C)C)c(/N=C/c2ccccn2)c(C(C)C)c1.Cl.Cl.Cl.Cl.[Pd].[Pd]
InChIInChI=1S/C43H47BrN4.4ClH.2Pd/c1-26(2)36-18-31(19-37(27(3)4)42(36)47-24-34-14-10-12-16-45-34)40-22-33(44)23-41(30(40)9)32-20-38(28(5)6)43(39(21-32)29(7)8)48-25-35-15-11-13-17-46-35;;;;;;/h10-29H,1-9H3;4*1H;;/b47-24+,48-25+;;;;;;
InChIKeyOYBZQTVXJANXKW-FDNQCMSNSA-N
MW1058.46 g/mol
LogP14.56
Rot. Bonds10

About N-[4-[5-bromo-3-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;bis(palladium);tetrahydrochloride

N-[4-[5-bromo-3-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;bis(palladium);tetrahydrochloride (PubChem CID 173107377) has the molecular formula C43H51BrCl4N4Pd2 and a molecular weight of 1058.46 g/mol. Its IUPAC name is N-[4-[5-bromo-3-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;bis(palladium);tetrahydrochloride.

Molecular Properties

Compound NameN-[4-[5-bromo-3-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;bis(palladium);tetrahydrochloride
PubChem CID173107377
Molecular FormulaC43H51BrCl4N4Pd2
Molecular Weight1058.46 g/mol
Exact Mass1054.01
IUPAC NameN-[4-[5-bromo-3-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;bis(palladium);tetrahydrochloride
SMILESCc1c(-c2cc(C(C)C)c(/N=C/c3ccccn3)c(C(C)C)c2)cc(Br)cc1-c1cc(C(C)C)c(/N=C/c2ccccn2)c(C(C)C)c1.Cl.Cl.Cl.Cl.[Pd].[Pd]
InChIInChI=1S/C43H47BrN4.4ClH.2Pd/c1-26(2)36-18-31(19-37(27(3)4)42(36)47-24-34-14-10-12-16-45-34)40-22-33(44)23-41(30(40)9)32-20-38(28(5)6)43(39(21-32)29(7)8)48-25-35-15-11-13-17-46-35;;;;;;/h10-29H,1-9H3;4*1H;;/b47-24+,48-25+;;;;;;
InChIKeyOYBZQTVXJANXKW-FDNQCMSNSA-N
XLogP14.56
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001058.46
LogP ≤ 514.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[5-bromo-3-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;bis(palladium);tetrahydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-bromo-3-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;bis(palladium);tetrahydrochloride?
The IUPAC name of N-[4-[5-bromo-3-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;bis(palladium);tetrahydrochloride (CID 173107377) is N-[4-[5-bromo-3-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;bis(palladium);tetrahydrochloride.
What is the SMILES notation for N-[4-[5-bromo-3-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;bis(palladium);tetrahydrochloride?
The canonical SMILES for N-[4-[5-bromo-3-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;bis(palladium);tetrahydrochloride is Cc1c(-c2cc(C(C)C)c(/N=C/c3ccccn3)c(C(C)C)c2)cc(Br)cc1-c1cc(C(C)C)c(/N=C/c2ccccn2)c(C(C)C)c1.Cl.Cl.Cl.Cl.[Pd].[Pd].
What is the InChIKey of N-[4-[5-bromo-3-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;bis(palladium);tetrahydrochloride?
The InChIKey is OYBZQTVXJANXKW-FDNQCMSNSA-N. The full InChI is InChI=1S/C43H47BrN4.4ClH.2Pd/c1-26(2)36-18-31(19-37(27(3)4)42(36)47-24-34-14-10-12-16-45-34)40-22-33(44)23-41(30(40)9)32-20-38(28(5)6)43(39(21-32)29(7)8)48-25-35-15-11-13-17-46-35;;;;;;/h10-29H,1-9H3;4*1H;;/b47-24+,48-25+;;;;;;.
What are the key properties of N-[4-[5-bromo-3-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;bis(palladium);tetrahydrochloride?
N-[4-[5-bromo-3-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;bis(palladium);tetrahydrochloride has a molecular weight of 1058.46 g/mol, XLogP of 14.56, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-bromo-3-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;bis(palladium);tetrahydrochloride is sourced from PubChem (CID 173107377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).