carbon monoxide;(1,3-dibenzyl-6-methyl-2H-pyrimidin-4-ylidene)chromium

C24H20CrN2O5 — CID 10939591

IUPACcarbon monoxide;(1,3-dibenzyl-6-methyl-2H-pyrimidin-4-ylidene)chromium
SMILESCC1=CC(=[Cr])N(Cc2ccccc2)CN1Cc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C19H20N2.5CO.Cr/c1-17-12-13-20(14-18-8-4-2-5-9-18)16-21(17)15-19-10-6-3-7-11-19;5*1-2;/h2-12H,14-16H2,1H3;;;;;;
InChIKeyPNZMASAAJCCGAU-UHFFFAOYSA-N
MW468.43 g/mol
LogP3.35
Rot. Bonds4

About carbon monoxide;(1,3-dibenzyl-6-methyl-2H-pyrimidin-4-ylidene)chromium

carbon monoxide;(1,3-dibenzyl-6-methyl-2H-pyrimidin-4-ylidene)chromium (PubChem CID 10939591) has the molecular formula C24H20CrN2O5 and a molecular weight of 468.43 g/mol. Its IUPAC name is carbon monoxide;(1,3-dibenzyl-6-methyl-2H-pyrimidin-4-ylidene)chromium.

Molecular Properties

Compound Namecarbon monoxide;(1,3-dibenzyl-6-methyl-2H-pyrimidin-4-ylidene)chromium
PubChem CID10939591
Molecular FormulaC24H20CrN2O5
Molecular Weight468.43 g/mol
Exact Mass468.08
IUPAC Namecarbon monoxide;(1,3-dibenzyl-6-methyl-2H-pyrimidin-4-ylidene)chromium
SMILESCC1=CC(=[Cr])N(Cc2ccccc2)CN1Cc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C19H20N2.5CO.Cr/c1-17-12-13-20(14-18-8-4-2-5-9-18)16-21(17)15-19-10-6-3-7-11-19;5*1-2;/h2-12H,14-16H2,1H3;;;;;;
InChIKeyPNZMASAAJCCGAU-UHFFFAOYSA-N
XLogP3.35
TPSA105.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.43
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;(1,3-dibenzyl-6-methyl-2H-pyrimidin-4-ylidene)chromium?
The IUPAC name of carbon monoxide;(1,3-dibenzyl-6-methyl-2H-pyrimidin-4-ylidene)chromium (CID 10939591) is carbon monoxide;(1,3-dibenzyl-6-methyl-2H-pyrimidin-4-ylidene)chromium.
What is the SMILES notation for carbon monoxide;(1,3-dibenzyl-6-methyl-2H-pyrimidin-4-ylidene)chromium?
The canonical SMILES for carbon monoxide;(1,3-dibenzyl-6-methyl-2H-pyrimidin-4-ylidene)chromium is CC1=CC(=[Cr])N(Cc2ccccc2)CN1Cc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;(1,3-dibenzyl-6-methyl-2H-pyrimidin-4-ylidene)chromium?
The InChIKey is PNZMASAAJCCGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2.5CO.Cr/c1-17-12-13-20(14-18-8-4-2-5-9-18)16-21(17)15-19-10-6-3-7-11-19;5*1-2;/h2-12H,14-16H2,1H3;;;;;;.
What are the key properties of carbon monoxide;(1,3-dibenzyl-6-methyl-2H-pyrimidin-4-ylidene)chromium?
carbon monoxide;(1,3-dibenzyl-6-methyl-2H-pyrimidin-4-ylidene)chromium has a molecular weight of 468.43 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;(1,3-dibenzyl-6-methyl-2H-pyrimidin-4-ylidene)chromium is sourced from PubChem (CID 10939591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).