benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;ethene;2-methoxy-3,6-dimethyl-9,12,13,14,14a,15-hexahydrophenanthro[9,10-b]quinolizin-11-one;2-methoxy-3,6-dimethyl-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine;2-methoxy-3,6-dimethyl-9,12,14a,15-tetrahydrophenanthro[9,10-b]quinolizin-11-one;tricyclohexylphosphanium

C121H148Cl2N5O5PRu — CID 160935942

IUPACbenzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;ethene;2-methoxy-3,6-dimethyl-9,12,13,14,14a,15-hexahydrophenanthro[9,10-b]quinolizin-11-one;2-methoxy-3,6-dimethyl-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine;2-methoxy-3,6-dimethyl-9,12,14a,15-tetrahydrophenanthro[9,10-b]quinolizin-11-one;tricyclohexylphosphanium
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C=C.C=C.COc1cc2c3c(c4ccc(C)cc4c2cc1C)CN1C(=O)CC=CC1C3.COc1cc2c3c(c4ccc(C)cc4c2cc1C)CN1C(=O)CCCC1C3.COc1cc2c3c(c4ccc(C)cc4c2cc1C)CN1CCCC1C3.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cl[Ru](Cl)=Cc1ccccc1
InChIInChI=1S/C24H25NO2.C24H23NO2.C23H25NO.C21H27N2.C18H33P.C7H6.2C2H4.2ClH.Ru/c2*1-14-7-8-17-18(9-14)19-10-15(2)23(27-3)12-21(19)20-11-16-5-4-6-24(26)25(16)13-22(17)20;1-14-6-7-17-18(9-14)19-10-15(2)23(25-3)12-21(19)20-11-16-5-4-8-24(16)13-22(17)20;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;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;2*1-2;;;/h7-10,12,16H,4-6,11,13H2,1-3H3;4-5,7-10,12,16H,6,11,13H2,1-3H3;6-7,9-10,12,16H,4-5,8,11,13H2,1-3H3;9-13H,7-8H2,1-6H3;16-18H,1-15H2;1-6H;2*1-2H2;2*1H;/q;;;-1;;;;;;;+2/p-1
InChIKeySUYFTWCGSXKIFT-UHFFFAOYSA-M
MW1955.49 g/mol
LogP30.58
Rot. Bonds9

About benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;ethene;2-methoxy-3,6-dimethyl-9,12,13,14,14a,15-hexahydrophenanthro[9,10-b]quinolizin-11-one;2-methoxy-3,6-dimethyl-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine;2-methoxy-3,6-dimethyl-9,12,14a,15-tetrahydrophenanthro[9,10-b]quinolizin-11-one;tricyclohexylphosphanium

benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;ethene;2-methoxy-3,6-dimethyl-9,12,13,14,14a,15-hexahydrophenanthro[9,10-b]quinolizin-11-one;2-methoxy-3,6-dimethyl-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine;2-methoxy-3,6-dimethyl-9,12,14a,15-tetrahydrophenanthro[9,10-b]quinolizin-11-one;tricyclohexylphosphanium (PubChem CID 160935942) has the molecular formula C121H148Cl2N5O5PRu and a molecular weight of 1955.49 g/mol. Its IUPAC name is benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;ethene;2-methoxy-3,6-dimethyl-9,12,13,14,14a,15-hexahydrophenanthro[9,10-b]quinolizin-11-one;2-methoxy-3,6-dimethyl-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine;2-methoxy-3,6-dimethyl-9,12,14a,15-tetrahydrophenanthro[9,10-b]quinolizin-11-one;tricyclohexylphosphanium.

Molecular Properties

Compound Namebenzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;ethene;2-methoxy-3,6-dimethyl-9,12,13,14,14a,15-hexahydrophenanthro[9,10-b]quinolizin-11-one;2-methoxy-3,6-dimethyl-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine;2-methoxy-3,6-dimethyl-9,12,14a,15-tetrahydrophenanthro[9,10-b]quinolizin-11-one;tricyclohexylphosphanium
PubChem CID160935942
Molecular FormulaC121H148Cl2N5O5PRu
Molecular Weight1955.49 g/mol
Exact Mass1953.96
IUPAC Namebenzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;ethene;2-methoxy-3,6-dimethyl-9,12,13,14,14a,15-hexahydrophenanthro[9,10-b]quinolizin-11-one;2-methoxy-3,6-dimethyl-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine;2-methoxy-3,6-dimethyl-9,12,14a,15-tetrahydrophenanthro[9,10-b]quinolizin-11-one;tricyclohexylphosphanium
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C=C.C=C.COc1cc2c3c(c4ccc(C)cc4c2cc1C)CN1C(=O)CC=CC1C3.COc1cc2c3c(c4ccc(C)cc4c2cc1C)CN1C(=O)CCCC1C3.COc1cc2c3c(c4ccc(C)cc4c2cc1C)CN1CCCC1C3.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cl[Ru](Cl)=Cc1ccccc1
InChIInChI=1S/C24H25NO2.C24H23NO2.C23H25NO.C21H27N2.C18H33P.C7H6.2C2H4.2ClH.Ru/c2*1-14-7-8-17-18(9-14)19-10-15(2)23(27-3)12-21(19)20-11-16-5-4-6-24(26)25(16)13-22(17)20;1-14-6-7-17-18(9-14)19-10-15(2)23(25-3)12-21(19)20-11-16-5-4-8-24(16)13-22(17)20;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;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;2*1-2;;;/h7-10,12,16H,4-6,11,13H2,1-3H3;4-5,7-10,12,16H,6,11,13H2,1-3H3;6-7,9-10,12,16H,4-5,8,11,13H2,1-3H3;9-13H,7-8H2,1-6H3;16-18H,1-15H2;1-6H;2*1-2H2;2*1H;/q;;;-1;;;;;;;+2/p-1
InChIKeySUYFTWCGSXKIFT-UHFFFAOYSA-M
XLogP30.58
TPSA78.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001955.49
LogP ≤ 530.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 160794284
benzylidene(dichloro)ruthenium;bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro(tricyclohexylphosphaniumylmethylidene)ruthenium);bis(tricyclohexylphosphanium)
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benzylidene-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichlororuthenium;benzylidene(dichloro)ruthenium;tris(tricyclohexylphosphanium)
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(13aR)-2,3-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine
CID 102266022
(13aR)-6,7-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine
CID 102266023
(13aS)-7-methoxy-3,6-dimethyl-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine;2-(formyloxymethyl)-2-hydroxybutanedioic acid;methane
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benzylidene(dichloro)ruthenium;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-(3-phenylinden-1-ylidene)ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(tricyclohexylphosphanium)
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benzylidene(dichloro)ruthenium;2,5-bis(2,4,6-trimethylphenyl)pyrrolidin-1-ide;tricyclohexylphosphanium
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bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tris(dichloro-[(2-propan-2-yloxoniophenyl)methylidene]ruthenium);nitromethane;tricyclohexylphosphanium
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Frequently Asked Questions

What is the IUPAC name of benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;ethene;2-methoxy-3,6-dimethyl-9,12,13,14,14a,15-hexahydrophenanthro[9,10-b]quinolizin-11-one;2-methoxy-3,6-dimethyl-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine;2-methoxy-3,6-dimethyl-9,12,14a,15-tetrahydrophenanthro[9,10-b]quinolizin-11-one;tricyclohexylphosphanium?
The IUPAC name of benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;ethene;2-methoxy-3,6-dimethyl-9,12,13,14,14a,15-hexahydrophenanthro[9,10-b]quinolizin-11-one;2-methoxy-3,6-dimethyl-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine;2-methoxy-3,6-dimethyl-9,12,14a,15-tetrahydrophenanthro[9,10-b]quinolizin-11-one;tricyclohexylphosphanium (CID 160935942) is benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;ethene;2-methoxy-3,6-dimethyl-9,12,13,14,14a,15-hexahydrophenanthro[9,10-b]quinolizin-11-one;2-methoxy-3,6-dimethyl-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine;2-methoxy-3,6-dimethyl-9,12,14a,15-tetrahydrophenanthro[9,10-b]quinolizin-11-one;tricyclohexylphosphanium.
What is the SMILES notation for benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;ethene;2-methoxy-3,6-dimethyl-9,12,13,14,14a,15-hexahydrophenanthro[9,10-b]quinolizin-11-one;2-methoxy-3,6-dimethyl-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine;2-methoxy-3,6-dimethyl-9,12,14a,15-tetrahydrophenanthro[9,10-b]quinolizin-11-one;tricyclohexylphosphanium?
The canonical SMILES for benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;ethene;2-methoxy-3,6-dimethyl-9,12,13,14,14a,15-hexahydrophenanthro[9,10-b]quinolizin-11-one;2-methoxy-3,6-dimethyl-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine;2-methoxy-3,6-dimethyl-9,12,14a,15-tetrahydrophenanthro[9,10-b]quinolizin-11-one;tricyclohexylphosphanium is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C=C.C=C.COc1cc2c3c(c4ccc(C)cc4c2cc1C)CN1C(=O)CC=CC1C3.COc1cc2c3c(c4ccc(C)cc4c2cc1C)CN1C(=O)CCCC1C3.COc1cc2c3c(c4ccc(C)cc4c2cc1C)CN1CCCC1C3.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cl[Ru](Cl)=Cc1ccccc1.
What is the InChIKey of benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;ethene;2-methoxy-3,6-dimethyl-9,12,13,14,14a,15-hexahydrophenanthro[9,10-b]quinolizin-11-one;2-methoxy-3,6-dimethyl-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine;2-methoxy-3,6-dimethyl-9,12,14a,15-tetrahydrophenanthro[9,10-b]quinolizin-11-one;tricyclohexylphosphanium?
The InChIKey is SUYFTWCGSXKIFT-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H25NO2.C24H23NO2.C23H25NO.C21H27N2.C18H33P.C7H6.2C2H4.2ClH.Ru/c2*1-14-7-8-17-18(9-14)19-10-15(2)23(27-3)12-21(19)20-11-16-5-4-6-24(26)25(16)13-22(17)20;1-14-6-7-17-18(9-14)19-10-15(2)23(25-3)12-21(19)20-11-16-5-4-8-24(16)13-22(17)20;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;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;2*1-2;;;/h7-10,12,16H,4-6,11,13H2,1-3H3;4-5,7-10,12,16H,6,11,13H2,1-3H3;6-7,9-10,12,16H,4-5,8,11,13H2,1-3H3;9-13H,7-8H2,1-6H3;16-18H,1-15H2;1-6H;2*1-2H2;2*1H;/q;;;-1;;;;;;;+2/p-1.
What are the key properties of benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;ethene;2-methoxy-3,6-dimethyl-9,12,13,14,14a,15-hexahydrophenanthro[9,10-b]quinolizin-11-one;2-methoxy-3,6-dimethyl-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine;2-methoxy-3,6-dimethyl-9,12,14a,15-tetrahydrophenanthro[9,10-b]quinolizin-11-one;tricyclohexylphosphanium?
benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;ethene;2-methoxy-3,6-dimethyl-9,12,13,14,14a,15-hexahydrophenanthro[9,10-b]quinolizin-11-one;2-methoxy-3,6-dimethyl-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine;2-methoxy-3,6-dimethyl-9,12,14a,15-tetrahydrophenanthro[9,10-b]quinolizin-11-one;tricyclohexylphosphanium has a molecular weight of 1955.49 g/mol, XLogP of 30.58, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;ethene;2-methoxy-3,6-dimethyl-9,12,13,14,14a,15-hexahydrophenanthro[9,10-b]quinolizin-11-one;2-methoxy-3,6-dimethyl-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine;2-methoxy-3,6-dimethyl-9,12,14a,15-tetrahydrophenanthro[9,10-b]quinolizin-11-one;tricyclohexylphosphanium is sourced from PubChem (CID 160935942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).