carbanide;dichlorozirconium(2+);dimethyl-[2-[(2R)-5-methyl-2,3-dihydrofuran-2-yl]-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]-[2-(5-methylfuran-2-yl)-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]silane;ethane

C42H70Cl2O2SiZr — CID 162283881

IUPACcarbanide;dichlorozirconium(2+);dimethyl-[2-[(2R)-5-methyl-2,3-dihydrofuran-2-yl]-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]-[2-(5-methylfuran-2-yl)-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]silane;ethane
SMILESCC.CC1=CC[C@H](C2CC3C4CCCCC4CCC3C2[Si](C)(C)C2C(c3ccc(C)o3)CC3C4CCCCC4CCC32)O1.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C38H58O2Si.C2H6.2CH3.2ClH.Zr/c1-23-13-19-35(39-23)33-21-31-27-11-7-5-9-25(27)15-17-29(31)37(33)41(3,4)38-30-18-16-26-10-6-8-12-28(26)32(30)22-34(38)36-20-14-24(2)40-36;1-2;;;;;/h13-14,19,25-34,36-38H,5-12,15-18,20-22H2,1-4H3;1-2H3;2*1H3;2*1H;/q;;2*-1;;;+4/p-2/t25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,36-,37?,38?;;;;;;/m1....../s1
InChIKeyNTXIPDCDJHUHCD-IOAGLQKLSA-L
MW797.24 g/mol
LogP14.21
Rot. Bonds4

About carbanide;dichlorozirconium(2+);dimethyl-[2-[(2R)-5-methyl-2,3-dihydrofuran-2-yl]-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]-[2-(5-methylfuran-2-yl)-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]silane;ethane

carbanide;dichlorozirconium(2+);dimethyl-[2-[(2R)-5-methyl-2,3-dihydrofuran-2-yl]-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]-[2-(5-methylfuran-2-yl)-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]silane;ethane (PubChem CID 162283881) has the molecular formula C42H70Cl2O2SiZr and a molecular weight of 797.24 g/mol. Its IUPAC name is carbanide;dichlorozirconium(2+);dimethyl-[2-[(2R)-5-methyl-2,3-dihydrofuran-2-yl]-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]-[2-(5-methylfuran-2-yl)-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]silane;ethane.

Molecular Properties

Compound Namecarbanide;dichlorozirconium(2+);dimethyl-[2-[(2R)-5-methyl-2,3-dihydrofuran-2-yl]-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]-[2-(5-methylfuran-2-yl)-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]silane;ethane
PubChem CID162283881
Molecular FormulaC42H70Cl2O2SiZr
Molecular Weight797.24 g/mol
Exact Mass794.36
IUPAC Namecarbanide;dichlorozirconium(2+);dimethyl-[2-[(2R)-5-methyl-2,3-dihydrofuran-2-yl]-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]-[2-(5-methylfuran-2-yl)-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]silane;ethane
SMILESCC.CC1=CC[C@H](C2CC3C4CCCCC4CCC3C2[Si](C)(C)C2C(c3ccc(C)o3)CC3C4CCCCC4CCC32)O1.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C38H58O2Si.C2H6.2CH3.2ClH.Zr/c1-23-13-19-35(39-23)33-21-31-27-11-7-5-9-25(27)15-17-29(31)37(33)41(3,4)38-30-18-16-26-10-6-8-12-28(26)32(30)22-34(38)36-20-14-24(2)40-36;1-2;;;;;/h13-14,19,25-34,36-38H,5-12,15-18,20-22H2,1-4H3;1-2H3;2*1H3;2*1H;/q;;2*-1;;;+4/p-2/t25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,36-,37?,38?;;;;;;/m1....../s1
InChIKeyNTXIPDCDJHUHCD-IOAGLQKLSA-L
XLogP14.21
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.24
LogP ≤ 514.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze carbanide;dichlorozirconium(2+);dimethyl-[2-[(2R)-5-methyl-2,3-dihydrofuran-2-yl]-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]-[2-(5-methylfuran-2-yl)-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]silane;ethane 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

2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-dimethyl-(15-tetracyclo[10.2.1.05,14.08,13]pentadecanyl)silane;carbanide;dichlorozirconium(2+)
CID 162297824
carbanide;dichlorozirconium(2+);2-methyl-5-[3-methyl-1-[1-(2,3,4,5-tetramethylcyclopentyl)siletan-1-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]furan
CID 162287108
carbanide;dichlorozirconium(2+);pentacyclo[13.7.0.04,12.05,10.017,22]docosane
CID 162298653
2-[(1S,2S)-2-cyclopropylcyclopropyl]-5-[1-[5-[(1R,2R)-2-cyclopropylcyclopropyl]furan-2-yl]ethyl]furan
CID 11870576
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(1-phenylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;dichlorozirconium(2+)
CID 162282348
bis(4-cyclohexyl-2-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
CID 140577419
bis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)
CID 162297844
dimethyl-bis[2-methyl-5-(5-methylfuran-2-yl)-1-(5-methylthiophen-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]pyrrol-4-yl]silane
CID 162283527
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(3-tert-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+)
CID 162280286
(2R,4aS,4bS,8aR,10aR)-2-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 97102805
[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(1,2-dimethyl-2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[b][1]benzofuran-3-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)
CID 162298375
3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.1]heptane
CID 19432891

Frequently Asked Questions

What is the IUPAC name of carbanide;dichlorozirconium(2+);dimethyl-[2-[(2R)-5-methyl-2,3-dihydrofuran-2-yl]-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]-[2-(5-methylfuran-2-yl)-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]silane;ethane?
The IUPAC name of carbanide;dichlorozirconium(2+);dimethyl-[2-[(2R)-5-methyl-2,3-dihydrofuran-2-yl]-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]-[2-(5-methylfuran-2-yl)-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]silane;ethane (CID 162283881) is carbanide;dichlorozirconium(2+);dimethyl-[2-[(2R)-5-methyl-2,3-dihydrofuran-2-yl]-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]-[2-(5-methylfuran-2-yl)-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]silane;ethane.
What is the SMILES notation for carbanide;dichlorozirconium(2+);dimethyl-[2-[(2R)-5-methyl-2,3-dihydrofuran-2-yl]-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]-[2-(5-methylfuran-2-yl)-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]silane;ethane?
The canonical SMILES for carbanide;dichlorozirconium(2+);dimethyl-[2-[(2R)-5-methyl-2,3-dihydrofuran-2-yl]-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]-[2-(5-methylfuran-2-yl)-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]silane;ethane is CC.CC1=CC[C@H](C2CC3C4CCCCC4CCC3C2[Si](C)(C)C2C(c3ccc(C)o3)CC3C4CCCCC4CCC32)O1.Cl[Zr+2]Cl.[CH3-].[CH3-].
What is the InChIKey of carbanide;dichlorozirconium(2+);dimethyl-[2-[(2R)-5-methyl-2,3-dihydrofuran-2-yl]-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]-[2-(5-methylfuran-2-yl)-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]silane;ethane?
The InChIKey is NTXIPDCDJHUHCD-IOAGLQKLSA-L. The full InChI is InChI=1S/C38H58O2Si.C2H6.2CH3.2ClH.Zr/c1-23-13-19-35(39-23)33-21-31-27-11-7-5-9-25(27)15-17-29(31)37(33)41(3,4)38-30-18-16-26-10-6-8-12-28(26)32(30)22-34(38)36-20-14-24(2)40-36;1-2;;;;;/h13-14,19,25-34,36-38H,5-12,15-18,20-22H2,1-4H3;1-2H3;2*1H3;2*1H;/q;;2*-1;;;+4/p-2/t25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,36-,37?,38?;;;;;;/m1....../s1.
What are the key properties of carbanide;dichlorozirconium(2+);dimethyl-[2-[(2R)-5-methyl-2,3-dihydrofuran-2-yl]-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]-[2-(5-methylfuran-2-yl)-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]silane;ethane?
carbanide;dichlorozirconium(2+);dimethyl-[2-[(2R)-5-methyl-2,3-dihydrofuran-2-yl]-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]-[2-(5-methylfuran-2-yl)-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]silane;ethane has a molecular weight of 797.24 g/mol, XLogP of 14.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;dichlorozirconium(2+);dimethyl-[2-[(2R)-5-methyl-2,3-dihydrofuran-2-yl]-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]-[2-(5-methylfuran-2-yl)-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]silane;ethane is sourced from PubChem (CID 162283881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).