carbon monoxide;chromium;[2-[(S)-methoxy(pyridin-2-yl)methyl]phenyl]-diphenylphosphane

C28H22CrNO4P — CID 135085124

IUPACcarbon monoxide;chromium;[2-[(S)-methoxy(pyridin-2-yl)methyl]phenyl]-diphenylphosphane
SMILESCO[C@H](c1ccccn1)c1ccccc1P(c1ccccc1)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C25H22NOP.3CO.Cr/c1-27-25(23-17-10-11-19-26-23)22-16-8-9-18-24(22)28(20-12-4-2-5-13-20)21-14-6-3-7-15-21;3*1-2;/h2-19,25H,1H3;;;;/t25-;;;;/m0..../s1
InChIKeyKHBKUNWKPVWXDA-OFIHFMIUSA-N
MW519.46 g/mol
LogP4.46
Rot. Bonds6

About carbon monoxide;chromium;[2-[(S)-methoxy(pyridin-2-yl)methyl]phenyl]-diphenylphosphane

carbon monoxide;chromium;[2-[(S)-methoxy(pyridin-2-yl)methyl]phenyl]-diphenylphosphane (PubChem CID 135085124) has the molecular formula C28H22CrNO4P and a molecular weight of 519.46 g/mol. Its IUPAC name is carbon monoxide;chromium;[2-[(S)-methoxy(pyridin-2-yl)methyl]phenyl]-diphenylphosphane.

Molecular Properties

Compound Namecarbon monoxide;chromium;[2-[(S)-methoxy(pyridin-2-yl)methyl]phenyl]-diphenylphosphane
PubChem CID135085124
Molecular FormulaC28H22CrNO4P
Molecular Weight519.46 g/mol
Exact Mass519.07
IUPAC Namecarbon monoxide;chromium;[2-[(S)-methoxy(pyridin-2-yl)methyl]phenyl]-diphenylphosphane
SMILESCO[C@H](c1ccccn1)c1ccccc1P(c1ccccc1)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C25H22NOP.3CO.Cr/c1-27-25(23-17-10-11-19-26-23)22-16-8-9-18-24(22)28(20-12-4-2-5-13-20)21-14-6-3-7-15-21;3*1-2;/h2-19,25H,1H3;;;;/t25-;;;;/m0..../s1
InChIKeyKHBKUNWKPVWXDA-OFIHFMIUSA-N
XLogP4.46
TPSA81.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.46
LogP ≤ 54.46
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

carbon monoxide;[diphenylphosphanyl(pyridin-2-yl)methyl]-diphenylphosphane;propan-2-one;rhenium;bromide
CID 139136657
N-[(1R)-1-(2-diphenylphosphanylphenyl)ethyl]-1-phenyl-1-pyridin-2-ylmethanimine
CID 102223100
[2-[(S)-(2-diphenylphosphanylphenyl)-methoxymethyl]cyclopenta-1,4-dien-1-yl]-naphthalen-1-yl-phenylphosphane
CID 101405218
(S)-amino-(2-diphenylphosphanylphenyl)methanol
CID 98228975
[diphenylphosphanyl(pyridin-2-yl)methyl]-diphenylphosphane
CID 15398914
N,N'-bis(diphenylphosphanyl)-1,2-dipyridin-2-ylethane-1,2-diamine
CID 102285685
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
(S)-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylphenyl]-pyridin-2-ylmethanol
CID 100939425
pyridin-2-ylmethanamine;ruthenium;bis(triphenylphosphane)
CID 11513273
1-methoxy-N,N-dimethyl-1-pyridin-2-ylmethanamine
CID 116914548
carbon monoxide;rhenium;triphenylphosphane
CID 139109889
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chromium;[2-[(S)-methoxy(pyridin-2-yl)methyl]phenyl]-diphenylphosphane?
The IUPAC name of carbon monoxide;chromium;[2-[(S)-methoxy(pyridin-2-yl)methyl]phenyl]-diphenylphosphane (CID 135085124) is carbon monoxide;chromium;[2-[(S)-methoxy(pyridin-2-yl)methyl]phenyl]-diphenylphosphane.
What is the SMILES notation for carbon monoxide;chromium;[2-[(S)-methoxy(pyridin-2-yl)methyl]phenyl]-diphenylphosphane?
The canonical SMILES for carbon monoxide;chromium;[2-[(S)-methoxy(pyridin-2-yl)methyl]phenyl]-diphenylphosphane is CO[C@H](c1ccccn1)c1ccccc1P(c1ccccc1)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;[2-[(S)-methoxy(pyridin-2-yl)methyl]phenyl]-diphenylphosphane?
The InChIKey is KHBKUNWKPVWXDA-OFIHFMIUSA-N. The full InChI is InChI=1S/C25H22NOP.3CO.Cr/c1-27-25(23-17-10-11-19-26-23)22-16-8-9-18-24(22)28(20-12-4-2-5-13-20)21-14-6-3-7-15-21;3*1-2;/h2-19,25H,1H3;;;;/t25-;;;;/m0..../s1.
What are the key properties of carbon monoxide;chromium;[2-[(S)-methoxy(pyridin-2-yl)methyl]phenyl]-diphenylphosphane?
carbon monoxide;chromium;[2-[(S)-methoxy(pyridin-2-yl)methyl]phenyl]-diphenylphosphane has a molecular weight of 519.46 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium;[2-[(S)-methoxy(pyridin-2-yl)methyl]phenyl]-diphenylphosphane is sourced from PubChem (CID 135085124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).