carbanide;5-cyclopentyl-1,3-dimethyl-2-(4-methylphenyl)benzene;5-cyclopentyl-1,3-dimethyl-2-[4-(4-methylphenyl)phenyl]benzene;4-(4-cyclopentyl-2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;methane;tris(osmium(2+));tris(1,2,3,4,5-pentamethylcyclopentane)

C109H164NOs3+ — CID 162271641

IUPACcarbanide;5-cyclopentyl-1,3-dimethyl-2-(4-methylphenyl)benzene;5-cyclopentyl-1,3-dimethyl-2-[4-(4-methylphenyl)phenyl]benzene;4-(4-cyclopentyl-2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;methane;tris(osmium(2+));tris(1,2,3,4,5-pentamethylcyclopentane)
SMILESC.CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.Cc1ccc(-c2c(C)cc(C3CCCC3)cc2C)cc1.Cc1ccc(-c2ccc(-c3c(C)cc(C4CCCC4)cc3C)cc2)cc1.Cc1ccccc1-c1cc(-c2c(C)cc(C3CCCC3)cc2C)cc[n+]1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Os+2].[Os+2].[Os+2]
InChIInChI=1S/C26H30N.C26H28.C20H24.3C10H20.CH4.6CH3.3Os/c1-18-9-5-8-12-24(18)25-17-22(13-14-27(25)4)26-19(2)15-23(16-20(26)3)21-10-6-7-11-21;1-18-8-10-22(11-9-18)23-12-14-24(15-13-23)26-19(2)16-25(17-20(26)3)21-6-4-5-7-21;1-14-8-10-18(11-9-14)20-15(2)12-19(13-16(20)3)17-6-4-5-7-17;3*1-6-7(2)9(4)10(5)8(6)3;;;;;;;;;;/h5,8-9,12-17,21H,6-7,10-11H2,1-4H3;8-17,21H,4-7H2,1-3H3;8-13,17H,4-7H2,1-3H3;3*6-10H,1-5H3;1H4;6*1H3;;;/q+1;;;;;;;6*-1;3*+2
InChIKeyWVCMCYFCNXTURP-UHFFFAOYSA-N
MW2059.21 g/mol
LogP32.84
Rot. Bonds8

About carbanide;5-cyclopentyl-1,3-dimethyl-2-(4-methylphenyl)benzene;5-cyclopentyl-1,3-dimethyl-2-[4-(4-methylphenyl)phenyl]benzene;4-(4-cyclopentyl-2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;methane;tris(osmium(2+));tris(1,2,3,4,5-pentamethylcyclopentane)

carbanide;5-cyclopentyl-1,3-dimethyl-2-(4-methylphenyl)benzene;5-cyclopentyl-1,3-dimethyl-2-[4-(4-methylphenyl)phenyl]benzene;4-(4-cyclopentyl-2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;methane;tris(osmium(2+));tris(1,2,3,4,5-pentamethylcyclopentane) (PubChem CID 162271641) has the molecular formula C109H164NOs3+ and a molecular weight of 2059.21 g/mol. Its IUPAC name is carbanide;5-cyclopentyl-1,3-dimethyl-2-(4-methylphenyl)benzene;5-cyclopentyl-1,3-dimethyl-2-[4-(4-methylphenyl)phenyl]benzene;4-(4-cyclopentyl-2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;methane;tris(osmium(2+));tris(1,2,3,4,5-pentamethylcyclopentane).

Molecular Properties

Compound Namecarbanide;5-cyclopentyl-1,3-dimethyl-2-(4-methylphenyl)benzene;5-cyclopentyl-1,3-dimethyl-2-[4-(4-methylphenyl)phenyl]benzene;4-(4-cyclopentyl-2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;methane;tris(osmium(2+));tris(1,2,3,4,5-pentamethylcyclopentane)
PubChem CID162271641
Molecular FormulaC109H164NOs3+
Molecular Weight2059.21 g/mol
Exact Mass2063.17
IUPAC Namecarbanide;5-cyclopentyl-1,3-dimethyl-2-(4-methylphenyl)benzene;5-cyclopentyl-1,3-dimethyl-2-[4-(4-methylphenyl)phenyl]benzene;4-(4-cyclopentyl-2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;methane;tris(osmium(2+));tris(1,2,3,4,5-pentamethylcyclopentane)
SMILESC.CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.Cc1ccc(-c2c(C)cc(C3CCCC3)cc2C)cc1.Cc1ccc(-c2ccc(-c3c(C)cc(C4CCCC4)cc3C)cc2)cc1.Cc1ccccc1-c1cc(-c2c(C)cc(C3CCCC3)cc2C)cc[n+]1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Os+2].[Os+2].[Os+2]
InChIInChI=1S/C26H30N.C26H28.C20H24.3C10H20.CH4.6CH3.3Os/c1-18-9-5-8-12-24(18)25-17-22(13-14-27(25)4)26-19(2)15-23(16-20(26)3)21-10-6-7-11-21;1-18-8-10-22(11-9-18)23-12-14-24(15-13-23)26-19(2)16-25(17-20(26)3)21-6-4-5-7-21;1-14-8-10-18(11-9-14)20-15(2)12-19(13-16(20)3)17-6-4-5-7-17;3*1-6-7(2)9(4)10(5)8(6)3;;;;;;;;;;/h5,8-9,12-17,21H,6-7,10-11H2,1-4H3;8-17,21H,4-7H2,1-3H3;8-13,17H,4-7H2,1-3H3;3*6-10H,1-5H3;1H4;6*1H3;;;/q+1;;;;;;;6*-1;3*+2
InChIKeyWVCMCYFCNXTURP-UHFFFAOYSA-N
XLogP32.84
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002059.21
LogP ≤ 532.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-(3-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,5-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 163702671
4-[4-(4,4-dimethylcyclohexyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140777994
4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium
CID 162265556
4-[4-(1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 170089897
4-[4-(1,2,2,3,3,4,5,5,6,6-decadeuterio-4-methylcyclohexyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 161092221
4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium
CID 161078328
4-[4-(3-deuterio-3-bicyclo[3.1.1]heptanyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 166564143
4-[4-(4-cyclopentylcyclohexyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[4-(1,1-dideuterioheptyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 159774603
1-methyl-4-(11-methyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl)-2-(2-methylphenyl)pyridin-1-ium
CID 140861442
4-[4-(1-deuterio-3,3,4,4-tetramethylcyclopentyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 166563835
4-[6-(4-cyclohexylphenyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 140830081
1-methyl-2-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium
CID 58421065

Frequently Asked Questions

What is the IUPAC name of carbanide;5-cyclopentyl-1,3-dimethyl-2-(4-methylphenyl)benzene;5-cyclopentyl-1,3-dimethyl-2-[4-(4-methylphenyl)phenyl]benzene;4-(4-cyclopentyl-2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;methane;tris(osmium(2+));tris(1,2,3,4,5-pentamethylcyclopentane)?
The IUPAC name of carbanide;5-cyclopentyl-1,3-dimethyl-2-(4-methylphenyl)benzene;5-cyclopentyl-1,3-dimethyl-2-[4-(4-methylphenyl)phenyl]benzene;4-(4-cyclopentyl-2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;methane;tris(osmium(2+));tris(1,2,3,4,5-pentamethylcyclopentane) (CID 162271641) is carbanide;5-cyclopentyl-1,3-dimethyl-2-(4-methylphenyl)benzene;5-cyclopentyl-1,3-dimethyl-2-[4-(4-methylphenyl)phenyl]benzene;4-(4-cyclopentyl-2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;methane;tris(osmium(2+));tris(1,2,3,4,5-pentamethylcyclopentane).
What is the SMILES notation for carbanide;5-cyclopentyl-1,3-dimethyl-2-(4-methylphenyl)benzene;5-cyclopentyl-1,3-dimethyl-2-[4-(4-methylphenyl)phenyl]benzene;4-(4-cyclopentyl-2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;methane;tris(osmium(2+));tris(1,2,3,4,5-pentamethylcyclopentane)?
The canonical SMILES for carbanide;5-cyclopentyl-1,3-dimethyl-2-(4-methylphenyl)benzene;5-cyclopentyl-1,3-dimethyl-2-[4-(4-methylphenyl)phenyl]benzene;4-(4-cyclopentyl-2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;methane;tris(osmium(2+));tris(1,2,3,4,5-pentamethylcyclopentane) is C.CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.Cc1ccc(-c2c(C)cc(C3CCCC3)cc2C)cc1.Cc1ccc(-c2ccc(-c3c(C)cc(C4CCCC4)cc3C)cc2)cc1.Cc1ccccc1-c1cc(-c2c(C)cc(C3CCCC3)cc2C)cc[n+]1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Os+2].[Os+2].[Os+2].
What is the InChIKey of carbanide;5-cyclopentyl-1,3-dimethyl-2-(4-methylphenyl)benzene;5-cyclopentyl-1,3-dimethyl-2-[4-(4-methylphenyl)phenyl]benzene;4-(4-cyclopentyl-2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;methane;tris(osmium(2+));tris(1,2,3,4,5-pentamethylcyclopentane)?
The InChIKey is WVCMCYFCNXTURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N.C26H28.C20H24.3C10H20.CH4.6CH3.3Os/c1-18-9-5-8-12-24(18)25-17-22(13-14-27(25)4)26-19(2)15-23(16-20(26)3)21-10-6-7-11-21;1-18-8-10-22(11-9-18)23-12-14-24(15-13-23)26-19(2)16-25(17-20(26)3)21-6-4-5-7-21;1-14-8-10-18(11-9-14)20-15(2)12-19(13-16(20)3)17-6-4-5-7-17;3*1-6-7(2)9(4)10(5)8(6)3;;;;;;;;;;/h5,8-9,12-17,21H,6-7,10-11H2,1-4H3;8-17,21H,4-7H2,1-3H3;8-13,17H,4-7H2,1-3H3;3*6-10H,1-5H3;1H4;6*1H3;;;/q+1;;;;;;;6*-1;3*+2.
What are the key properties of carbanide;5-cyclopentyl-1,3-dimethyl-2-(4-methylphenyl)benzene;5-cyclopentyl-1,3-dimethyl-2-[4-(4-methylphenyl)phenyl]benzene;4-(4-cyclopentyl-2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;methane;tris(osmium(2+));tris(1,2,3,4,5-pentamethylcyclopentane)?
carbanide;5-cyclopentyl-1,3-dimethyl-2-(4-methylphenyl)benzene;5-cyclopentyl-1,3-dimethyl-2-[4-(4-methylphenyl)phenyl]benzene;4-(4-cyclopentyl-2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;methane;tris(osmium(2+));tris(1,2,3,4,5-pentamethylcyclopentane) has a molecular weight of 2059.21 g/mol, XLogP of 32.84, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;5-cyclopentyl-1,3-dimethyl-2-(4-methylphenyl)benzene;5-cyclopentyl-1,3-dimethyl-2-[4-(4-methylphenyl)phenyl]benzene;4-(4-cyclopentyl-2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;methane;tris(osmium(2+));tris(1,2,3,4,5-pentamethylcyclopentane) is sourced from PubChem (CID 162271641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).