carbon monoxide;[(1S,2R,5S)-5-methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexyl]oxy-diphenylphosphane;rhodium;triphenylphosphane;perchlorate

C46H47ClNO6P2Rh- — CID 11073011

IUPACcarbon monoxide;[(1S,2R,5S)-5-methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexyl]oxy-diphenylphosphane;rhodium;triphenylphosphane;perchlorate
SMILESCC(C)[C@H]1CC[C@H](C)C[C@@]1(OP(c1ccccc1)c1ccccc1)c1ccccn1.[C-]#[O+].[O-][Cl+3]([O-])([O-])[O-].[Rh].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H32NOP.C18H15P.CO.ClHO4.Rh/c1-21(2)25-18-17-22(3)20-27(25,26-16-10-11-19-28-26)29-30(23-12-6-4-7-13-23)24-14-8-5-9-15-24;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;2-1(3,4)5;/h4-16,19,21-22,25H,17-18,20H2,1-3H3;1-15H;;(H,2,3,4,5);/p-1/t22-,25+,27-;;;;/m0..../s1
InChIKeySQQURPWARZVTGT-GWWVZPOVSA-M
MW910.19 g/mol
LogP5.08
Rot. Bonds9

About carbon monoxide;[(1S,2R,5S)-5-methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexyl]oxy-diphenylphosphane;rhodium;triphenylphosphane;perchlorate

carbon monoxide;[(1S,2R,5S)-5-methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexyl]oxy-diphenylphosphane;rhodium;triphenylphosphane;perchlorate (PubChem CID 11073011) has the molecular formula C46H47ClNO6P2Rh- and a molecular weight of 910.19 g/mol. Its IUPAC name is carbon monoxide;[(1S,2R,5S)-5-methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexyl]oxy-diphenylphosphane;rhodium;triphenylphosphane;perchlorate.

Molecular Properties

Compound Namecarbon monoxide;[(1S,2R,5S)-5-methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexyl]oxy-diphenylphosphane;rhodium;triphenylphosphane;perchlorate
PubChem CID11073011
Molecular FormulaC46H47ClNO6P2Rh-
Molecular Weight910.19 g/mol
Exact Mass909.16
IUPAC Namecarbon monoxide;[(1S,2R,5S)-5-methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexyl]oxy-diphenylphosphane;rhodium;triphenylphosphane;perchlorate
SMILESCC(C)[C@H]1CC[C@H](C)C[C@@]1(OP(c1ccccc1)c1ccccc1)c1ccccn1.[C-]#[O+].[O-][Cl+3]([O-])([O-])[O-].[Rh].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H32NOP.C18H15P.CO.ClHO4.Rh/c1-21(2)25-18-17-22(3)20-27(25,26-16-10-11-19-28-26)29-30(23-12-6-4-7-13-23)24-14-8-5-9-15-24;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;2-1(3,4)5;/h4-16,19,21-22,25H,17-18,20H2,1-3H3;1-15H;;(H,2,3,4,5);/p-1/t22-,25+,27-;;;;/m0..../s1
InChIKeySQQURPWARZVTGT-GWWVZPOVSA-M
XLogP5.08
TPSA134.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500910.19
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[(1S,2R,5S)-5-methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexyl]oxy-diphenylphosphane;rhodium;triphenylphosphane;perchlorate?
The IUPAC name of carbon monoxide;[(1S,2R,5S)-5-methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexyl]oxy-diphenylphosphane;rhodium;triphenylphosphane;perchlorate (CID 11073011) is carbon monoxide;[(1S,2R,5S)-5-methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexyl]oxy-diphenylphosphane;rhodium;triphenylphosphane;perchlorate.
What is the SMILES notation for carbon monoxide;[(1S,2R,5S)-5-methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexyl]oxy-diphenylphosphane;rhodium;triphenylphosphane;perchlorate?
The canonical SMILES for carbon monoxide;[(1S,2R,5S)-5-methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexyl]oxy-diphenylphosphane;rhodium;triphenylphosphane;perchlorate is CC(C)[C@H]1CC[C@H](C)C[C@@]1(OP(c1ccccc1)c1ccccc1)c1ccccn1.[C-]#[O+].[O-][Cl+3]([O-])([O-])[O-].[Rh].c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of carbon monoxide;[(1S,2R,5S)-5-methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexyl]oxy-diphenylphosphane;rhodium;triphenylphosphane;perchlorate?
The InChIKey is SQQURPWARZVTGT-GWWVZPOVSA-M. The full InChI is InChI=1S/C27H32NOP.C18H15P.CO.ClHO4.Rh/c1-21(2)25-18-17-22(3)20-27(25,26-16-10-11-19-28-26)29-30(23-12-6-4-7-13-23)24-14-8-5-9-15-24;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;2-1(3,4)5;/h4-16,19,21-22,25H,17-18,20H2,1-3H3;1-15H;;(H,2,3,4,5);/p-1/t22-,25+,27-;;;;/m0..../s1.
What are the key properties of carbon monoxide;[(1S,2R,5S)-5-methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexyl]oxy-diphenylphosphane;rhodium;triphenylphosphane;perchlorate?
carbon monoxide;[(1S,2R,5S)-5-methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexyl]oxy-diphenylphosphane;rhodium;triphenylphosphane;perchlorate has a molecular weight of 910.19 g/mol, XLogP of 5.08, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[(1S,2R,5S)-5-methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexyl]oxy-diphenylphosphane;rhodium;triphenylphosphane;perchlorate is sourced from PubChem (CID 11073011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).