[3-benzylidene-2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexylphosphane;dichlororuthenium;toluene

C53H69Cl2N2PRu — CID 159105378

About [3-benzylidene-2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexylphosphane;dichlororuthenium;toluene

[3-benzylidene-2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexylphosphane;dichlororuthenium;toluene (PubChem CID 159105378) has the molecular formula C53H69Cl2N2PRu and a molecular weight of 937.10 g/mol. Its IUPAC name is [3-benzylidene-2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexylphosphane;dichlororuthenium;toluene.

Molecular Properties

• Compound Name: [3-benzylidene-2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexylphosphane;dichlororuthenium;toluene
• PubChem CID: 159105378
• Molecular Formula: C53H69Cl2N2PRu
• Molecular Weight: 937.10 g/mol
• Exact Mass: 936.36
• IUPAC Name: [3-benzylidene-2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexylphosphane;dichlororuthenium;toluene
• SMILES: Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2=C2C(=Cc3ccccc3)CCCC2P(C2CCCCC2)C2CCCCC2)c(C)c1.Cc1ccccc1.Cl[Ru]Cl
• InChI: InChI=1S/C46H61N2P.C7H8.2ClH.Ru/c1-32-27-34(3)44(35(4)28-32)47-25-26-48(45-36(5)29-33(2)30-37(45)6)46(47)43-39(31-38-17-10-7-11-18-38)19-16-24-42(43)49(40-20-12-8-13-21-40)41-22-14-9-15-23-41;1-7-5-3-2-4-6-7;;;/h7,10-11,17-18,27-31,40-42H,8-9,12-16,19-26H2,1-6H3;2-6H,1H3;2*1H;/q;;;;+2/p-2
• InChIKey: KDUVMICCRXSWJD-UHFFFAOYSA-L
• XLogP: 16.23
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	937.10
LogP ≤ 5	16.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-benzylidene-2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexylphosphane;dichlororuthenium;toluene?

The IUPAC name of [3-benzylidene-2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexylphosphane;dichlororuthenium;toluene (CID 159105378) is [3-benzylidene-2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexylphosphane;dichlororuthenium;toluene.

What is the SMILES notation for [3-benzylidene-2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexylphosphane;dichlororuthenium;toluene?

The canonical SMILES for [3-benzylidene-2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexylphosphane;dichlororuthenium;toluene is Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2=C2C(=Cc3ccccc3)CCCC2P(C2CCCCC2)C2CCCCC2)c(C)c1.Cc1ccccc1.Cl[Ru]Cl.

What is the InChIKey of [3-benzylidene-2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexylphosphane;dichlororuthenium;toluene?

The InChIKey is KDUVMICCRXSWJD-UHFFFAOYSA-L. The full InChI is InChI=1S/C46H61N2P.C7H8.2ClH.Ru/c1-32-27-34(3)44(35(4)28-32)47-25-26-48(45-36(5)29-33(2)30-37(45)6)46(47)43-39(31-38-17-10-7-11-18-38)19-16-24-42(43)49(40-20-12-8-13-21-40)41-22-14-9-15-23-41;1-7-5-3-2-4-6-7;;;/h7,10-11,17-18,27-31,40-42H,8-9,12-16,19-26H2,1-6H3;2-6H,1H3;2*1H;/q;;;;+2/p-2.

What are the key properties of [3-benzylidene-2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexylphosphane;dichlororuthenium;toluene?

[3-benzylidene-2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexylphosphane;dichlororuthenium;toluene has a molecular weight of 937.10 g/mol, XLogP of 16.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [3-benzylidene-2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexylphosphane;dichlororuthenium;toluene is sourced from PubChem (CID 159105378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).