carbanide;carbonic acid;chromium;2-[[2-[[2-hydroxy-3-methyl-5-(5-methylnonan-5-yl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-dimethylphenol

C34H51CrN2O5- — CID 159073662

IUPACcarbanide;carbonic acid;chromium;2-[[2-[[2-hydroxy-3-methyl-5-(5-methylnonan-5-yl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-dimethylphenol
SMILESCCCCC(C)(CCCC)c1cc(C)c(O)c(/C=N/C2CCCC2/N=C/c2cc(C)cc(C)c2O)c1.O=C(O)O.[CH3-].[Cr]
InChIInChI=1S/C32H46N2O2.CH2O3.CH3.Cr/c1-7-9-14-32(6,15-10-8-2)27-18-24(5)31(36)26(19-27)21-34-29-13-11-12-28(29)33-20-25-17-22(3)16-23(4)30(25)35;2-1(3)4;;/h16-21,28-29,35-36H,7-15H2,1-6H3;(H2,2,3,4);1H3;/q;;-1;/b33-20+,34-21+;;;
InChIKeyHYOQJISCDBKZMQ-DFPRISDZSA-N
MW619.79 g/mol
LogP8.79
Rot. Bonds11

About carbanide;carbonic acid;chromium;2-[[2-[[2-hydroxy-3-methyl-5-(5-methylnonan-5-yl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-dimethylphenol

carbanide;carbonic acid;chromium;2-[[2-[[2-hydroxy-3-methyl-5-(5-methylnonan-5-yl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-dimethylphenol (PubChem CID 159073662) has the molecular formula C34H51CrN2O5- and a molecular weight of 619.79 g/mol. Its IUPAC name is carbanide;carbonic acid;chromium;2-[[2-[[2-hydroxy-3-methyl-5-(5-methylnonan-5-yl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-dimethylphenol.

Molecular Properties

Compound Namecarbanide;carbonic acid;chromium;2-[[2-[[2-hydroxy-3-methyl-5-(5-methylnonan-5-yl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-dimethylphenol
PubChem CID159073662
Molecular FormulaC34H51CrN2O5-
Molecular Weight619.79 g/mol
Exact Mass619.32
IUPAC Namecarbanide;carbonic acid;chromium;2-[[2-[[2-hydroxy-3-methyl-5-(5-methylnonan-5-yl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-dimethylphenol
SMILESCCCCC(C)(CCCC)c1cc(C)c(O)c(/C=N/C2CCCC2/N=C/c2cc(C)cc(C)c2O)c1.O=C(O)O.[CH3-].[Cr]
InChIInChI=1S/C32H46N2O2.CH2O3.CH3.Cr/c1-7-9-14-32(6,15-10-8-2)27-18-24(5)31(36)26(19-27)21-34-29-13-11-12-28(29)33-20-25-17-22(3)16-23(4)30(25)35;2-1(3)4;;/h16-21,28-29,35-36H,7-15H2,1-6H3;(H2,2,3,4);1H3;/q;;-1;/b33-20+,34-21+;;;
InChIKeyHYOQJISCDBKZMQ-DFPRISDZSA-N
XLogP8.79
TPSA122.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.79
LogP ≤ 58.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze carbanide;carbonic acid;chromium;2-[[2-[[2-hydroxy-3-methyl-5-(5-methylnonan-5-yl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-dimethylphenol with MolForge

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Related Compounds

2-[[(1S,2S)-2-[[2-hydroxy-3-methyl-5-(5-methylnonan-5-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(5-methylnonan-5-yl)phenol
CID 158512440
carbanide;cobalt;methane;propanedioic acid;tributyl-[4-[4-hydroxy-3-[[2-[[2-hydroxy-3-methyl-5-(5-methylnonan-5-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-5-methylphenyl]-4-methyl-7-(tributylazaniumyl)heptyl]azanium
CID 159721589
CID 162227805
CID 162227805
2-[[2-[[2-hydroxy-3-methyl-5-(3-methylpentan-3-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(3-methylpentan-3-yl)phenol
CID 158335728
4-tert-butyl-2-[[(1R,2R)-2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-methylphenol
CID 136611019
carbanide;carbon monoxide;chromium;cobalt;bis(2-[[(2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol);hydrate
CID 157167093
chromium;2-[[(2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol;azide
CID 159906793
cobalt;2-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-(5-methylnonan-5-yl)-6-propan-2-ylphenol;methane;oxalic acid
CID 161358978
chromium;methane;propanedioic acid;tributyl-[4-[4-hydroxy-3-[[2-[[2-hydroxy-5-(5-methylnonan-5-yl)-3-propan-2-ylphenyl]methylideneamino]cyclobutyl]iminomethyl]-5-propan-2-ylphenyl]-4-methyl-7-(tributylazaniumyl)heptyl]azanium
CID 158609489
4-butyl-2-tert-butyl-6-[[2-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol
CID 137079191
2-(4-tert-butyl-2,6-dimethylphenyl)-6-[[(1S,2S)-2-[[3-(4-tert-butyl-2,6-dimethylphenyl)-2-hydroxy-5-methylphenyl]methylideneamino]cyclohexyl]iminomethyl]-4-methylphenol
CID 136693668
cobalt;2-[[2-[[2-hydroxy-5-(5-methylnonan-5-yl)-3-propan-2-ylphenyl]methylideneamino]cyclopropyl]iminomethyl]-4,6-di(propan-2-yl)phenol;methane;oxalic acid
CID 157250828

Frequently Asked Questions

What is the IUPAC name of carbanide;carbonic acid;chromium;2-[[2-[[2-hydroxy-3-methyl-5-(5-methylnonan-5-yl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-dimethylphenol?
The IUPAC name of carbanide;carbonic acid;chromium;2-[[2-[[2-hydroxy-3-methyl-5-(5-methylnonan-5-yl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-dimethylphenol (CID 159073662) is carbanide;carbonic acid;chromium;2-[[2-[[2-hydroxy-3-methyl-5-(5-methylnonan-5-yl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-dimethylphenol.
What is the SMILES notation for carbanide;carbonic acid;chromium;2-[[2-[[2-hydroxy-3-methyl-5-(5-methylnonan-5-yl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-dimethylphenol?
The canonical SMILES for carbanide;carbonic acid;chromium;2-[[2-[[2-hydroxy-3-methyl-5-(5-methylnonan-5-yl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-dimethylphenol is CCCCC(C)(CCCC)c1cc(C)c(O)c(/C=N/C2CCCC2/N=C/c2cc(C)cc(C)c2O)c1.O=C(O)O.[CH3-].[Cr].
What is the InChIKey of carbanide;carbonic acid;chromium;2-[[2-[[2-hydroxy-3-methyl-5-(5-methylnonan-5-yl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-dimethylphenol?
The InChIKey is HYOQJISCDBKZMQ-DFPRISDZSA-N. The full InChI is InChI=1S/C32H46N2O2.CH2O3.CH3.Cr/c1-7-9-14-32(6,15-10-8-2)27-18-24(5)31(36)26(19-27)21-34-29-13-11-12-28(29)33-20-25-17-22(3)16-23(4)30(25)35;2-1(3)4;;/h16-21,28-29,35-36H,7-15H2,1-6H3;(H2,2,3,4);1H3;/q;;-1;/b33-20+,34-21+;;;.
What are the key properties of carbanide;carbonic acid;chromium;2-[[2-[[2-hydroxy-3-methyl-5-(5-methylnonan-5-yl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-dimethylphenol?
carbanide;carbonic acid;chromium;2-[[2-[[2-hydroxy-3-methyl-5-(5-methylnonan-5-yl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-dimethylphenol has a molecular weight of 619.79 g/mol, XLogP of 8.79, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;carbonic acid;chromium;2-[[2-[[2-hydroxy-3-methyl-5-(5-methylnonan-5-yl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-dimethylphenol is sourced from PubChem (CID 159073662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).