[2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexyl-(3-methylbut-2-enylidene)-λ5-phosphane;ruthenium

C44H65N2PRu — CID 175174466

IUPAC[2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexyl-(3-methylbut-2-enylidene)-λ5-phosphane;ruthenium
SMILESCC(C)=CC=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1=C1N(c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C.[Ru]
InChIInChI=1S/C44H65N2P.Ru/c1-31(2)23-26-47(38-17-11-9-12-18-38,39-19-13-10-14-20-39)41-22-16-15-21-40(41)44-45(42-34(5)27-32(3)28-35(42)6)24-25-46(44)43-36(7)29-33(4)30-37(43)8;/h23,26-30,38-39,41H,9-22,24-25H2,1-8H3;
InChIKeyOADSEKDXJPEPSL-UHFFFAOYSA-N
MW754.06 g/mol
LogP12.47
Rot. Bonds6

About [2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexyl-(3-methylbut-2-enylidene)-λ5-phosphane;ruthenium

[2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexyl-(3-methylbut-2-enylidene)-λ5-phosphane;ruthenium (PubChem CID 175174466) has the molecular formula C44H65N2PRu and a molecular weight of 754.06 g/mol. Its IUPAC name is [2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexyl-(3-methylbut-2-enylidene)-λ5-phosphane;ruthenium.

Molecular Properties

Compound Name[2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexyl-(3-methylbut-2-enylidene)-λ5-phosphane;ruthenium
PubChem CID175174466
Molecular FormulaC44H65N2PRu
Molecular Weight754.06 g/mol
Exact Mass754.39
IUPAC Name[2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexyl-(3-methylbut-2-enylidene)-λ5-phosphane;ruthenium
SMILESCC(C)=CC=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1=C1N(c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C.[Ru]
InChIInChI=1S/C44H65N2P.Ru/c1-31(2)23-26-47(38-17-11-9-12-18-38,39-19-13-10-14-20-39)41-22-16-15-21-40(41)44-45(42-34(5)27-32(3)28-35(42)6)24-25-46(44)43-36(7)29-33(4)30-37(43)8;/h23,26-30,38-39,41H,9-22,24-25H2,1-8H3;
InChIKeyOADSEKDXJPEPSL-UHFFFAOYSA-N
XLogP12.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.06
LogP ≤ 512.47
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 [2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexyl-(3-methylbut-2-enylidene)-λ5-phosphane;ruthenium?
The IUPAC name of [2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexyl-(3-methylbut-2-enylidene)-λ5-phosphane;ruthenium (CID 175174466) is [2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexyl-(3-methylbut-2-enylidene)-λ5-phosphane;ruthenium.
What is the SMILES notation for [2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexyl-(3-methylbut-2-enylidene)-λ5-phosphane;ruthenium?
The canonical SMILES for [2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexyl-(3-methylbut-2-enylidene)-λ5-phosphane;ruthenium is CC(C)=CC=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1=C1N(c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C.[Ru].
What is the InChIKey of [2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexyl-(3-methylbut-2-enylidene)-λ5-phosphane;ruthenium?
The InChIKey is OADSEKDXJPEPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H65N2P.Ru/c1-31(2)23-26-47(38-17-11-9-12-18-38,39-19-13-10-14-20-39)41-22-16-15-21-40(41)44-45(42-34(5)27-32(3)28-35(42)6)24-25-46(44)43-36(7)29-33(4)30-37(43)8;/h23,26-30,38-39,41H,9-22,24-25H2,1-8H3;.
What are the key properties of [2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexyl-(3-methylbut-2-enylidene)-λ5-phosphane;ruthenium?
[2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexyl-(3-methylbut-2-enylidene)-λ5-phosphane;ruthenium has a molecular weight of 754.06 g/mol, XLogP of 12.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexyl-(3-methylbut-2-enylidene)-λ5-phosphane;ruthenium is sourced from PubChem (CID 175174466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).