[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-fluoren-9-ylideneruthenium;triphenylphosphane

C52H49Cl2N2PRu — CID 87635339

IUPAC[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-fluoren-9-ylideneruthenium;triphenylphosphane
SMILESCc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2=[Ru](Cl)(Cl)=C2c3ccccc3-c3ccccc32)c(C)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H26N2.C18H15P.C13H8.2ClH.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;;/h9-12H,7-8H2,1-6H3;1-15H;1-8H;2*1H;/q;;;;;+2/p-2
InChIKeySMVFFSGLWHIGQA-UHFFFAOYSA-L
MW904.93 g/mol
LogP12.11
Rot. Bonds5

About [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-fluoren-9-ylideneruthenium;triphenylphosphane

[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-fluoren-9-ylideneruthenium;triphenylphosphane (PubChem CID 87635339) has the molecular formula C52H49Cl2N2PRu and a molecular weight of 904.93 g/mol. Its IUPAC name is [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-fluoren-9-ylideneruthenium;triphenylphosphane.

Molecular Properties

Compound Name[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-fluoren-9-ylideneruthenium;triphenylphosphane
PubChem CID87635339
Molecular FormulaC52H49Cl2N2PRu
Molecular Weight904.93 g/mol
Exact Mass904.21
IUPAC Name[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-fluoren-9-ylideneruthenium;triphenylphosphane
SMILESCc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2=[Ru](Cl)(Cl)=C2c3ccccc3-c3ccccc32)c(C)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H26N2.C18H15P.C13H8.2ClH.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;;/h9-12H,7-8H2,1-6H3;1-15H;1-8H;2*1H;/q;;;;;+2/p-2
InChIKeySMVFFSGLWHIGQA-UHFFFAOYSA-L
XLogP12.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.93
LogP ≤ 512.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-fluoren-9-ylideneruthenium;triphenylphosphane?
The IUPAC name of [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-fluoren-9-ylideneruthenium;triphenylphosphane (CID 87635339) is [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-fluoren-9-ylideneruthenium;triphenylphosphane.
What is the SMILES notation for [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-fluoren-9-ylideneruthenium;triphenylphosphane?
The canonical SMILES for [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-fluoren-9-ylideneruthenium;triphenylphosphane is Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2=[Ru](Cl)(Cl)=C2c3ccccc3-c3ccccc32)c(C)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-fluoren-9-ylideneruthenium;triphenylphosphane?
The InChIKey is SMVFFSGLWHIGQA-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H26N2.C18H15P.C13H8.2ClH.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;;/h9-12H,7-8H2,1-6H3;1-15H;1-8H;2*1H;/q;;;;;+2/p-2.
What are the key properties of [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-fluoren-9-ylideneruthenium;triphenylphosphane?
[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-fluoren-9-ylideneruthenium;triphenylphosphane has a molecular weight of 904.93 g/mol, XLogP of 12.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-fluoren-9-ylideneruthenium;triphenylphosphane is sourced from PubChem (CID 87635339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).