carbanide;chloro-[(2-propan-2-ylphosphanylphenyl)methylidene]ruthenium;2,2,4,4-tetramethyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidin-5-ide

C29H44ClNPRu-2 — CID 170637404

IUPACcarbanide;chloro-[(2-propan-2-ylphosphanylphenyl)methylidene]ruthenium;2,2,4,4-tetramethyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidin-5-ide
SMILESCC(C)Pc1ccccc1/C=[Ru]\Cl.Cc1cccc(C(C)C)c1N1[CH-]C(C)(C)CC1(C)C.[CH3-]
InChIInChI=1S/C18H28N.C10H13P.CH3.ClH.Ru/c1-13(2)15-10-8-9-14(3)16(15)19-12-17(4,5)11-18(19,6)7;1-8(2)11-10-7-5-4-6-9(10)3;;;/h8-10,12-13H,11H2,1-7H3;3-8,11H,1-2H3;1H3;1H;/q-1;;-1;;+1/p-1
InChIKeyGMVNXULTASUZRE-UHFFFAOYSA-M
MW574.18 g/mol
LogP8.53
Rot. Bonds5

About carbanide;chloro-[(2-propan-2-ylphosphanylphenyl)methylidene]ruthenium;2,2,4,4-tetramethyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidin-5-ide

carbanide;chloro-[(2-propan-2-ylphosphanylphenyl)methylidene]ruthenium;2,2,4,4-tetramethyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidin-5-ide (PubChem CID 170637404) has the molecular formula C29H44ClNPRu-2 and a molecular weight of 574.18 g/mol. Its IUPAC name is carbanide;chloro-[(2-propan-2-ylphosphanylphenyl)methylidene]ruthenium;2,2,4,4-tetramethyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidin-5-ide.

Molecular Properties

Compound Namecarbanide;chloro-[(2-propan-2-ylphosphanylphenyl)methylidene]ruthenium;2,2,4,4-tetramethyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidin-5-ide
PubChem CID170637404
Molecular FormulaC29H44ClNPRu-2
Molecular Weight574.18 g/mol
Exact Mass574.20
IUPAC Namecarbanide;chloro-[(2-propan-2-ylphosphanylphenyl)methylidene]ruthenium;2,2,4,4-tetramethyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidin-5-ide
SMILESCC(C)Pc1ccccc1/C=[Ru]\Cl.Cc1cccc(C(C)C)c1N1[CH-]C(C)(C)CC1(C)C.[CH3-]
InChIInChI=1S/C18H28N.C10H13P.CH3.ClH.Ru/c1-13(2)15-10-8-9-14(3)16(15)19-12-17(4,5)11-18(19,6)7;1-8(2)11-10-7-5-4-6-9(10)3;;;/h8-10,12-13H,11H2,1-7H3;3-8,11H,1-2H3;1H3;1H;/q-1;;-1;;+1/p-1
InChIKeyGMVNXULTASUZRE-UHFFFAOYSA-M
XLogP8.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.18
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze carbanide;chloro-[(2-propan-2-ylphosphanylphenyl)methylidene]ruthenium;2,2,4,4-tetramethyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidin-5-ide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbanide;chloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-[4-(2-methylpropyl)phenyl]pyrrolidin-5-ide
CID 170637340
dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;(4R)-4-(3,5-dimethylphenyl)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4-trimethylpyrrolidin-5-ide
CID 171726507
CID 58568218
CID 58568218
CID 135084941
CID 135084941
dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;(4S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4-trimethyl-4-naphthalen-1-ylpyrrolidin-5-ide
CID 171726538
dichloro-[[2-[(N-methylanilino)methyl]phenyl]methylidene]ruthenium;1-[2,6-di(propan-2-yl)phenyl]-2,2,4-trimethyl-4-phenylpyrrolidin-5-ide
CID 162458942
(4S)-2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-phenylpyrrolidine
CID 171726444
chloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;1-(2,6-diethylphenyl)-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2,2,4-trimethylpyrrolidin-5-ide;methanol
CID 162436237
(5S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4,5-pentamethylpyrrolidine
CID 155647792
5-[amino-(2,3,5,6-tetramethylphenyl)boranyl]-1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4-tetramethylpyrrolidine
CID 146673220
dichloro-[(2-phenylmethoxy-3-propan-2-ylphenyl)methylidene]ruthenium;1-(2,6-diethylphenyl)-2,2,4-trimethyl-4-phenylpyrrolidin-5-ide
CID 176633479
1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4-tetramethyl-5-(trichloromethyl)pyrrolidine
CID 132545970

Frequently Asked Questions

What is the IUPAC name of carbanide;chloro-[(2-propan-2-ylphosphanylphenyl)methylidene]ruthenium;2,2,4,4-tetramethyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidin-5-ide?
The IUPAC name of carbanide;chloro-[(2-propan-2-ylphosphanylphenyl)methylidene]ruthenium;2,2,4,4-tetramethyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidin-5-ide (CID 170637404) is carbanide;chloro-[(2-propan-2-ylphosphanylphenyl)methylidene]ruthenium;2,2,4,4-tetramethyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidin-5-ide.
What is the SMILES notation for carbanide;chloro-[(2-propan-2-ylphosphanylphenyl)methylidene]ruthenium;2,2,4,4-tetramethyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidin-5-ide?
The canonical SMILES for carbanide;chloro-[(2-propan-2-ylphosphanylphenyl)methylidene]ruthenium;2,2,4,4-tetramethyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidin-5-ide is CC(C)Pc1ccccc1/C=[Ru]\Cl.Cc1cccc(C(C)C)c1N1[CH-]C(C)(C)CC1(C)C.[CH3-].
What is the InChIKey of carbanide;chloro-[(2-propan-2-ylphosphanylphenyl)methylidene]ruthenium;2,2,4,4-tetramethyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidin-5-ide?
The InChIKey is GMVNXULTASUZRE-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H28N.C10H13P.CH3.ClH.Ru/c1-13(2)15-10-8-9-14(3)16(15)19-12-17(4,5)11-18(19,6)7;1-8(2)11-10-7-5-4-6-9(10)3;;;/h8-10,12-13H,11H2,1-7H3;3-8,11H,1-2H3;1H3;1H;/q-1;;-1;;+1/p-1.
What are the key properties of carbanide;chloro-[(2-propan-2-ylphosphanylphenyl)methylidene]ruthenium;2,2,4,4-tetramethyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidin-5-ide?
carbanide;chloro-[(2-propan-2-ylphosphanylphenyl)methylidene]ruthenium;2,2,4,4-tetramethyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidin-5-ide has a molecular weight of 574.18 g/mol, XLogP of 8.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;chloro-[(2-propan-2-ylphosphanylphenyl)methylidene]ruthenium;2,2,4,4-tetramethyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidin-5-ide is sourced from PubChem (CID 170637404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).