carbon monoxide;[[(4S,5S)-4-(furan-2-yl)-5-trimethylsilyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium

C32H38CrN2O7Si — CID 135004559

IUPACcarbon monoxide;[[(4S,5S)-4-(furan-2-yl)-5-trimethylsilyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium
SMILESC[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@H](OC(=[Cr])C2=NN[C@@H]([Si](C)(C)C)[C@@H]2c2ccco2)C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C27H38N2O2Si.5CO.Cr/c1-19-14-15-21(27(2,3)20-11-8-7-9-12-20)24(17-19)31-18-22-25(23-13-10-16-30-23)26(29-28-22)32(4,5)6;5*1-2;/h7-13,16,19,21,24-26,29H,14-15,17H2,1-6H3;;;;;;/t19-,21-,24-,25+,26+;;;;;;/m1....../s1
InChIKeyLYZJGGPJOZGTGZ-FKWIRGIASA-N
MW642.75 g/mol
LogP5.86
Rot. Bonds7

About carbon monoxide;[[(4S,5S)-4-(furan-2-yl)-5-trimethylsilyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium

carbon monoxide;[[(4S,5S)-4-(furan-2-yl)-5-trimethylsilyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium (PubChem CID 135004559) has the molecular formula C32H38CrN2O7Si and a molecular weight of 642.75 g/mol. Its IUPAC name is carbon monoxide;[[(4S,5S)-4-(furan-2-yl)-5-trimethylsilyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium.

Molecular Properties

Compound Namecarbon monoxide;[[(4S,5S)-4-(furan-2-yl)-5-trimethylsilyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium
PubChem CID135004559
Molecular FormulaC32H38CrN2O7Si
Molecular Weight642.75 g/mol
Exact Mass642.19
IUPAC Namecarbon monoxide;[[(4S,5S)-4-(furan-2-yl)-5-trimethylsilyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium
SMILESC[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@H](OC(=[Cr])C2=NN[C@@H]([Si](C)(C)C)[C@@H]2c2ccco2)C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C27H38N2O2Si.5CO.Cr/c1-19-14-15-21(27(2,3)20-11-8-7-9-12-20)24(17-19)31-18-22-25(23-13-10-16-30-23)26(29-28-22)32(4,5)6;5*1-2;/h7-13,16,19,21,24-26,29H,14-15,17H2,1-6H3;;;;;;/t19-,21-,24-,25+,26+;;;;;;/m1....../s1
InChIKeyLYZJGGPJOZGTGZ-FKWIRGIASA-N
XLogP5.86
TPSA146.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.75
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze carbon monoxide;[[(4S,5S)-4-(furan-2-yl)-5-trimethylsilyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium 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 carbon monoxide;[[(4S,5S)-4-(furan-2-yl)-5-trimethylsilyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium?
The IUPAC name of carbon monoxide;[[(4S,5S)-4-(furan-2-yl)-5-trimethylsilyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium (CID 135004559) is carbon monoxide;[[(4S,5S)-4-(furan-2-yl)-5-trimethylsilyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium.
What is the SMILES notation for carbon monoxide;[[(4S,5S)-4-(furan-2-yl)-5-trimethylsilyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium?
The canonical SMILES for carbon monoxide;[[(4S,5S)-4-(furan-2-yl)-5-trimethylsilyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium is C[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@H](OC(=[Cr])C2=NN[C@@H]([Si](C)(C)C)[C@@H]2c2ccco2)C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[[(4S,5S)-4-(furan-2-yl)-5-trimethylsilyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium?
The InChIKey is LYZJGGPJOZGTGZ-FKWIRGIASA-N. The full InChI is InChI=1S/C27H38N2O2Si.5CO.Cr/c1-19-14-15-21(27(2,3)20-11-8-7-9-12-20)24(17-19)31-18-22-25(23-13-10-16-30-23)26(29-28-22)32(4,5)6;5*1-2;/h7-13,16,19,21,24-26,29H,14-15,17H2,1-6H3;;;;;;/t19-,21-,24-,25+,26+;;;;;;/m1....../s1.
What are the key properties of carbon monoxide;[[(4S,5S)-4-(furan-2-yl)-5-trimethylsilyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium?
carbon monoxide;[[(4S,5S)-4-(furan-2-yl)-5-trimethylsilyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium has a molecular weight of 642.75 g/mol, XLogP of 5.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[[(4S,5S)-4-(furan-2-yl)-5-trimethylsilyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium is sourced from PubChem (CID 135004559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).