bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(dideuterio)methane;bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(methoxy(diphenyl)phosphane)

C99H102Cl6N4O2P2Ru2-2 — CID 159955062

About bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(dideuterio)methane;bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(methoxy(diphenyl)phosphane)

bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(dideuterio)methane;bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(methoxy(diphenyl)phosphane) (PubChem CID 159955062) has the molecular formula C99H102Cl6N4O2P2Ru2-2 and a molecular weight of 1858.75 g/mol. Its IUPAC name is bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(dideuterio)methane;bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(methoxy(diphenyl)phosphane).

Molecular Properties

• Compound Name: bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(dideuterio)methane;bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(methoxy(diphenyl)phosphane)
• PubChem CID: 159955062
• Molecular Formula: C99H102Cl6N4O2P2Ru2-2
• Molecular Weight: 1858.75 g/mol
• Exact Mass: 1856.38
• IUPAC Name: bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(dideuterio)methane;bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(methoxy(diphenyl)phosphane)
• SMILES: COP(c1ccccc1)c1ccccc1.COP(c1ccccc1)c1ccccc1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.[2H]C([2H])(Cl)Cl
• InChI: InChI=1S/2C21H27N2.2C15H10.2C13H13OP.CH2Cl2.4ClH.2Ru/c2*1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;2*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;2*1-14-15(12-8-4-2-5-9-12)13-10-6-3-7-11-13;2-1-3;;;;;;/h2*9-13H,7-8H2,1-6H3;2*1-9,11H;2*2-11H,1H3;1H2;4*1H;;/q2*-1;;;;;;;;;;2*+2/p-4/i;;;;;;1D2
• InChIKey: IWQYWRZFFVTOKT-SMSHMQPZSA-J
• XLogP: 25.91
• TPSA: 31.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1858.75
LogP ≤ 5	25.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(dideuterio)methane;bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(methoxy(diphenyl)phosphane)?

The IUPAC name of bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(dideuterio)methane;bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(methoxy(diphenyl)phosphane) (CID 159955062) is bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(dideuterio)methane;bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(methoxy(diphenyl)phosphane).

What is the SMILES notation for bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(dideuterio)methane;bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(methoxy(diphenyl)phosphane)?

The canonical SMILES for bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(dideuterio)methane;bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(methoxy(diphenyl)phosphane) is COP(c1ccccc1)c1ccccc1.COP(c1ccccc1)c1ccccc1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.[2H]C([2H])(Cl)Cl.

What is the InChIKey of bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(dideuterio)methane;bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(methoxy(diphenyl)phosphane)?

The InChIKey is IWQYWRZFFVTOKT-SMSHMQPZSA-J. The full InChI is InChI=1S/2C21H27N2.2C15H10.2C13H13OP.CH2Cl2.4ClH.2Ru/c2*1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;2*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;2*1-14-15(12-8-4-2-5-9-12)13-10-6-3-7-11-13;2-1-3;;;;;;/h2*9-13H,7-8H2,1-6H3;2*1-9,11H;2*2-11H,1H3;1H2;4*1H;;/q2*-1;;;;;;;;;;2*+2/p-4/i;;;;;;1D2;;;;;;.

What are the key properties of bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(dideuterio)methane;bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(methoxy(diphenyl)phosphane)?

bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(dideuterio)methane;bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(methoxy(diphenyl)phosphane) has a molecular weight of 1858.75 g/mol, XLogP of 25.91, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(dideuterio)methane;bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(methoxy(diphenyl)phosphane) is sourced from PubChem (CID 159955062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).