bis(benzylidene(dichloro)ruthenium);bis(dicyclohexyl(morpholin-4-yl)phosphanium);methane;4-methylmorpholine;oxolane;bis(triphenylphosphanium)

C93H133Cl4N3O4P4Ru2+4 — CID 158563190

About bis(benzylidene(dichloro)ruthenium);bis(dicyclohexyl(morpholin-4-yl)phosphanium);methane;4-methylmorpholine;oxolane;bis(triphenylphosphanium)

bis(benzylidene(dichloro)ruthenium);bis(dicyclohexyl(morpholin-4-yl)phosphanium);methane;4-methylmorpholine;oxolane;bis(triphenylphosphanium) (PubChem CID 158563190) has the molecular formula C93H133Cl4N3O4P4Ru2+4 and a molecular weight of 1824.95 g/mol. Its IUPAC name is bis(benzylidene(dichloro)ruthenium);bis(dicyclohexyl(morpholin-4-yl)phosphanium);methane;4-methylmorpholine;oxolane;bis(triphenylphosphanium).

Molecular Properties

• Compound Name: bis(benzylidene(dichloro)ruthenium);bis(dicyclohexyl(morpholin-4-yl)phosphanium);methane;4-methylmorpholine;oxolane;bis(triphenylphosphanium)
• PubChem CID: 158563190
• Molecular Formula: C93H133Cl4N3O4P4Ru2+4
• Molecular Weight: 1824.95 g/mol
• Exact Mass: 1823.61
• IUPAC Name: bis(benzylidene(dichloro)ruthenium);bis(dicyclohexyl(morpholin-4-yl)phosphanium);methane;4-methylmorpholine;oxolane;bis(triphenylphosphanium)
• SMILES: C.C.C1CCC([PH+](C2CCCCC2)N2CCOCC2)CC1.C1CCC([PH+](C2CCCCC2)N2CCOCC2)CC1.C1CCOC1.CN1CCOCC1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/2C18H15P.2C16H30NOP.2C7H6.C5H11NO.C4H8O.2CH4.4ClH.2Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-3-7-15(8-4-1)19(16-9-5-2-6-10-16)17-11-13-18-14-12-17;2*1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-2-4-5-3-1;;;;;;;;/h2*1-15H;2*15-16H,1-14H2;2*1-6H;2-5H2,1H3;1-4H2;2*1H4;4*1H;;/q;;;;;;;;;;;;;;2*+2
• InChIKey: CMKJBBUIQDDDKF-UHFFFAOYSA-N
• XLogP: 22.12
• TPSA: 46.64 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1824.95
LogP ≤ 5	22.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(benzylidene(dichloro)ruthenium);bis(dicyclohexyl(morpholin-4-yl)phosphanium);methane;4-methylmorpholine;oxolane;bis(triphenylphosphanium)?

The IUPAC name of bis(benzylidene(dichloro)ruthenium);bis(dicyclohexyl(morpholin-4-yl)phosphanium);methane;4-methylmorpholine;oxolane;bis(triphenylphosphanium) (CID 158563190) is bis(benzylidene(dichloro)ruthenium);bis(dicyclohexyl(morpholin-4-yl)phosphanium);methane;4-methylmorpholine;oxolane;bis(triphenylphosphanium).

What is the SMILES notation for bis(benzylidene(dichloro)ruthenium);bis(dicyclohexyl(morpholin-4-yl)phosphanium);methane;4-methylmorpholine;oxolane;bis(triphenylphosphanium)?

The canonical SMILES for bis(benzylidene(dichloro)ruthenium);bis(dicyclohexyl(morpholin-4-yl)phosphanium);methane;4-methylmorpholine;oxolane;bis(triphenylphosphanium) is C.C.C1CCC([PH+](C2CCCCC2)N2CCOCC2)CC1.C1CCC([PH+](C2CCCCC2)N2CCOCC2)CC1.C1CCOC1.CN1CCOCC1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of bis(benzylidene(dichloro)ruthenium);bis(dicyclohexyl(morpholin-4-yl)phosphanium);methane;4-methylmorpholine;oxolane;bis(triphenylphosphanium)?

The InChIKey is CMKJBBUIQDDDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15P.2C16H30NOP.2C7H6.C5H11NO.C4H8O.2CH4.4ClH.2Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-3-7-15(8-4-1)19(16-9-5-2-6-10-16)17-11-13-18-14-12-17;2*1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-2-4-5-3-1;;;;;;;;/h2*1-15H;2*15-16H,1-14H2;2*1-6H;2-5H2,1H3;1-4H2;2*1H4;4*1H;;/q;;;;;;;;;;;;;;2*+2.

What are the key properties of bis(benzylidene(dichloro)ruthenium);bis(dicyclohexyl(morpholin-4-yl)phosphanium);methane;4-methylmorpholine;oxolane;bis(triphenylphosphanium)?

bis(benzylidene(dichloro)ruthenium);bis(dicyclohexyl(morpholin-4-yl)phosphanium);methane;4-methylmorpholine;oxolane;bis(triphenylphosphanium) has a molecular weight of 1824.95 g/mol, XLogP of 22.12, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for bis(benzylidene(dichloro)ruthenium);bis(dicyclohexyl(morpholin-4-yl)phosphanium);methane;4-methylmorpholine;oxolane;bis(triphenylphosphanium) is sourced from PubChem (CID 158563190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).