carbanide;4-chloropyridine;1H-indole;palladium;1-pyridin-4-ylindole

C27H24ClN4Pd- — CID 160942398

IUPACcarbanide;4-chloropyridine;1H-indole;palladium;1-pyridin-4-ylindole
SMILESClc1ccncc1.[CH3-].[Pd].c1ccc2[nH]ccc2c1.c1ccc2c(c1)ccn2-c1ccncc1
InChIInChI=1S/C13H10N2.C8H7N.C5H4ClN.CH3.Pd/c1-2-4-13-11(3-1)7-10-15(13)12-5-8-14-9-6-12;1-2-4-8-7(3-1)5-6-9-8;6-5-1-3-7-4-2-5;;/h1-10H;1-6,9H;1-4H;1H3;/q;;;-1;
InChIKeyWMKMTIIDOUMLCY-UHFFFAOYSA-N
MW546.39 g/mol
LogP7.38
Rot. Bonds1

About carbanide;4-chloropyridine;1H-indole;palladium;1-pyridin-4-ylindole

carbanide;4-chloropyridine;1H-indole;palladium;1-pyridin-4-ylindole (PubChem CID 160942398) has the molecular formula C27H24ClN4Pd- and a molecular weight of 546.39 g/mol. Its IUPAC name is carbanide;4-chloropyridine;1H-indole;palladium;1-pyridin-4-ylindole.

Molecular Properties

Compound Namecarbanide;4-chloropyridine;1H-indole;palladium;1-pyridin-4-ylindole
PubChem CID160942398
Molecular FormulaC27H24ClN4Pd-
Molecular Weight546.39 g/mol
Exact Mass545.07
IUPAC Namecarbanide;4-chloropyridine;1H-indole;palladium;1-pyridin-4-ylindole
SMILESClc1ccncc1.[CH3-].[Pd].c1ccc2[nH]ccc2c1.c1ccc2c(c1)ccn2-c1ccncc1
InChIInChI=1S/C13H10N2.C8H7N.C5H4ClN.CH3.Pd/c1-2-4-13-11(3-1)7-10-15(13)12-5-8-14-9-6-12;1-2-4-8-7(3-1)5-6-9-8;6-5-1-3-7-4-2-5;;/h1-10H;1-6,9H;1-4H;1H3;/q;;;-1;
InChIKeyWMKMTIIDOUMLCY-UHFFFAOYSA-N
XLogP7.38
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.39
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 carbanide;4-chloropyridine;1H-indole;palladium;1-pyridin-4-ylindole?
The IUPAC name of carbanide;4-chloropyridine;1H-indole;palladium;1-pyridin-4-ylindole (CID 160942398) is carbanide;4-chloropyridine;1H-indole;palladium;1-pyridin-4-ylindole.
What is the SMILES notation for carbanide;4-chloropyridine;1H-indole;palladium;1-pyridin-4-ylindole?
The canonical SMILES for carbanide;4-chloropyridine;1H-indole;palladium;1-pyridin-4-ylindole is Clc1ccncc1.[CH3-].[Pd].c1ccc2[nH]ccc2c1.c1ccc2c(c1)ccn2-c1ccncc1.
What is the InChIKey of carbanide;4-chloropyridine;1H-indole;palladium;1-pyridin-4-ylindole?
The InChIKey is WMKMTIIDOUMLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2.C8H7N.C5H4ClN.CH3.Pd/c1-2-4-13-11(3-1)7-10-15(13)12-5-8-14-9-6-12;1-2-4-8-7(3-1)5-6-9-8;6-5-1-3-7-4-2-5;;/h1-10H;1-6,9H;1-4H;1H3;/q;;;-1;.
What are the key properties of carbanide;4-chloropyridine;1H-indole;palladium;1-pyridin-4-ylindole?
carbanide;4-chloropyridine;1H-indole;palladium;1-pyridin-4-ylindole has a molecular weight of 546.39 g/mol, XLogP of 7.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;4-chloropyridine;1H-indole;palladium;1-pyridin-4-ylindole is sourced from PubChem (CID 160942398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).