chloropalladium(1+);2-[2,6-di(propan-2-yl)phenyl]-5-(2,4,6-triethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide

C31H39ClN2Pd — CID 174057888

IUPACchloropalladium(1+);2-[2,6-di(propan-2-yl)phenyl]-5-(2,4,6-triethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide
SMILESCCc1cc(CC)c(C2=CC=CC3=CN(c4c(C(C)C)cccc4C(C)C)[CH-]N32)c(CC)c1.Cl[Pd+]
InChIInChI=1S/C31H39N2.ClH.Pd/c1-8-23-17-24(9-2)30(25(10-3)18-23)29-16-11-13-26-19-32(20-33(26)29)31-27(21(4)5)14-12-15-28(31)22(6)7;;/h11-22H,8-10H2,1-7H3;1H;/q-1;;+2/p-1
InChIKeyYZQUZBCDAAEPTA-UHFFFAOYSA-M
MW581.54 g/mol
LogP9.00
Rot. Bonds7

About chloropalladium(1+);2-[2,6-di(propan-2-yl)phenyl]-5-(2,4,6-triethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide

chloropalladium(1+);2-[2,6-di(propan-2-yl)phenyl]-5-(2,4,6-triethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide (PubChem CID 174057888) has the molecular formula C31H39ClN2Pd and a molecular weight of 581.54 g/mol. Its IUPAC name is chloropalladium(1+);2-[2,6-di(propan-2-yl)phenyl]-5-(2,4,6-triethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide.

Molecular Properties

Compound Namechloropalladium(1+);2-[2,6-di(propan-2-yl)phenyl]-5-(2,4,6-triethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide
PubChem CID174057888
Molecular FormulaC31H39ClN2Pd
Molecular Weight581.54 g/mol
Exact Mass580.18
IUPAC Namechloropalladium(1+);2-[2,6-di(propan-2-yl)phenyl]-5-(2,4,6-triethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide
SMILESCCc1cc(CC)c(C2=CC=CC3=CN(c4c(C(C)C)cccc4C(C)C)[CH-]N32)c(CC)c1.Cl[Pd+]
InChIInChI=1S/C31H39N2.ClH.Pd/c1-8-23-17-24(9-2)30(25(10-3)18-23)29-16-11-13-26-19-32(20-33(26)29)31-27(21(4)5)14-12-15-28(31)22(6)7;;/h11-22H,8-10H2,1-7H3;1H;/q-1;;+2/p-1
InChIKeyYZQUZBCDAAEPTA-UHFFFAOYSA-M
XLogP9.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.54
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloropalladium(1+);2-[2,6-di(propan-2-yl)phenyl]-5-(2,4,6-triethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide?
The IUPAC name of chloropalladium(1+);2-[2,6-di(propan-2-yl)phenyl]-5-(2,4,6-triethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide (CID 174057888) is chloropalladium(1+);2-[2,6-di(propan-2-yl)phenyl]-5-(2,4,6-triethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide.
What is the SMILES notation for chloropalladium(1+);2-[2,6-di(propan-2-yl)phenyl]-5-(2,4,6-triethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide?
The canonical SMILES for chloropalladium(1+);2-[2,6-di(propan-2-yl)phenyl]-5-(2,4,6-triethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide is CCc1cc(CC)c(C2=CC=CC3=CN(c4c(C(C)C)cccc4C(C)C)[CH-]N32)c(CC)c1.Cl[Pd+].
What is the InChIKey of chloropalladium(1+);2-[2,6-di(propan-2-yl)phenyl]-5-(2,4,6-triethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide?
The InChIKey is YZQUZBCDAAEPTA-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H39N2.ClH.Pd/c1-8-23-17-24(9-2)30(25(10-3)18-23)29-16-11-13-26-19-32(20-33(26)29)31-27(21(4)5)14-12-15-28(31)22(6)7;;/h11-22H,8-10H2,1-7H3;1H;/q-1;;+2/p-1.
What are the key properties of chloropalladium(1+);2-[2,6-di(propan-2-yl)phenyl]-5-(2,4,6-triethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide?
chloropalladium(1+);2-[2,6-di(propan-2-yl)phenyl]-5-(2,4,6-triethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide has a molecular weight of 581.54 g/mol, XLogP of 9.00, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloropalladium(1+);2-[2,6-di(propan-2-yl)phenyl]-5-(2,4,6-triethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide is sourced from PubChem (CID 174057888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).