9H-carbazole;chloroform;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;3-methyl-3,6-dihydro-2H-pyran;bis(palladium)

C53H49Cl3N2O3Pd2 — CID 159325282

IUPAC9H-carbazole;chloroform;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;3-methyl-3,6-dihydro-2H-pyran;bis(palladium)
SMILESC1=CC(n2c3ccccc3c3ccccc32)COC1.CC1C=CCOC1.ClC(Cl)Cl.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd].c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C17H15NO.C17H14O.C12H9N.C6H10O.CHCl3.2Pd/c1-3-9-16-14(7-1)15-8-2-4-10-17(15)18(16)13-6-5-11-19-12-13;18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-6-3-2-4-7-5-6;2-1(3)4;;/h1-10,13H,11-12H2;1-14H;1-8,13H;2-3,6H,4-5H2,1H3;1H;;/b;13-11+,14-12+;;;;;
InChIKeyLEGXTMCBGPQEBH-HCVRQWSCSA-N
MW1081.18 g/mol
LogP14.42
Rot. Bonds5

About 9H-carbazole;chloroform;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;3-methyl-3,6-dihydro-2H-pyran;bis(palladium)

9H-carbazole;chloroform;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;3-methyl-3,6-dihydro-2H-pyran;bis(palladium) (PubChem CID 159325282) has the molecular formula C53H49Cl3N2O3Pd2 and a molecular weight of 1081.18 g/mol. Its IUPAC name is 9H-carbazole;chloroform;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;3-methyl-3,6-dihydro-2H-pyran;bis(palladium).

Molecular Properties

Compound Name9H-carbazole;chloroform;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;3-methyl-3,6-dihydro-2H-pyran;bis(palladium)
PubChem CID159325282
Molecular FormulaC53H49Cl3N2O3Pd2
Molecular Weight1081.18 g/mol
Exact Mass1078.09
IUPAC Name9H-carbazole;chloroform;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;3-methyl-3,6-dihydro-2H-pyran;bis(palladium)
SMILESC1=CC(n2c3ccccc3c3ccccc32)COC1.CC1C=CCOC1.ClC(Cl)Cl.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd].c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C17H15NO.C17H14O.C12H9N.C6H10O.CHCl3.2Pd/c1-3-9-16-14(7-1)15-8-2-4-10-17(15)18(16)13-6-5-11-19-12-13;18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-6-3-2-4-7-5-6;2-1(3)4;;/h1-10,13H,11-12H2;1-14H;1-8,13H;2-3,6H,4-5H2,1H3;1H;;/b;13-11+,14-12+;;;;;
InChIKeyLEGXTMCBGPQEBH-HCVRQWSCSA-N
XLogP14.42
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001081.18
LogP ≤ 514.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 9H-carbazole;chloroform;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;3-methyl-3,6-dihydro-2H-pyran;bis(palladium) with MolForge

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Related Compounds

tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9H-carbazole;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157189033
2-Carbazol-9-ylethyl 2-methylprop-2-enoate;2-carbazol-9-ylethyl prop-2-enoate
CID 159828873
2-Carbazol-9-ylethyl 2-methylpropanoate;2-carbazol-9-ylethyl 2-methylprop-2-enoate
CID 160449400
bis(1-carbazol-9-ylpropan-2-yl) (E)-but-2-enedioate
CID 174733140

Frequently Asked Questions

What is the IUPAC name of 9H-carbazole;chloroform;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;3-methyl-3,6-dihydro-2H-pyran;bis(palladium)?
The IUPAC name of 9H-carbazole;chloroform;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;3-methyl-3,6-dihydro-2H-pyran;bis(palladium) (CID 159325282) is 9H-carbazole;chloroform;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;3-methyl-3,6-dihydro-2H-pyran;bis(palladium).
What is the SMILES notation for 9H-carbazole;chloroform;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;3-methyl-3,6-dihydro-2H-pyran;bis(palladium)?
The canonical SMILES for 9H-carbazole;chloroform;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;3-methyl-3,6-dihydro-2H-pyran;bis(palladium) is C1=CC(n2c3ccccc3c3ccccc32)COC1.CC1C=CCOC1.ClC(Cl)Cl.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd].c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 9H-carbazole;chloroform;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;3-methyl-3,6-dihydro-2H-pyran;bis(palladium)?
The InChIKey is LEGXTMCBGPQEBH-HCVRQWSCSA-N. The full InChI is InChI=1S/C17H15NO.C17H14O.C12H9N.C6H10O.CHCl3.2Pd/c1-3-9-16-14(7-1)15-8-2-4-10-17(15)18(16)13-6-5-11-19-12-13;18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-6-3-2-4-7-5-6;2-1(3)4;;/h1-10,13H,11-12H2;1-14H;1-8,13H;2-3,6H,4-5H2,1H3;1H;;/b;13-11+,14-12+;;;;;.
What are the key properties of 9H-carbazole;chloroform;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;3-methyl-3,6-dihydro-2H-pyran;bis(palladium)?
9H-carbazole;chloroform;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;3-methyl-3,6-dihydro-2H-pyran;bis(palladium) has a molecular weight of 1081.18 g/mol, XLogP of 14.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole;chloroform;9-(3,6-dihydro-2H-pyran-3-yl)carbazole;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;3-methyl-3,6-dihydro-2H-pyran;bis(palladium) is sourced from PubChem (CID 159325282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).