dimethylsilylidenehafnium(2+);ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);bis(1H-inden-1-ide);methanidylidenesilane;1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]naphthalene;phenylmethylidenesilane;propane;bis(titanium(4+));bromide

C116H107BrHfSi3Ti2 — CID 158812830

IUPACdimethylsilylidenehafnium(2+);ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);bis(1H-inden-1-ide);methanidylidenesilane;1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]naphthalene;phenylmethylidenesilane;propane;bis(titanium(4+));bromide
SMILESCC1=Cc2c(-c3cccc4ccccc34)cccc2C1[CH-]C1C(C)=Cc2c(-c3cccc4ccccc34)cccc21.CCc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.CCc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.C[CH-]C.C[Si](C)=[Hf+2].[Br-].[CH2-]C.[H][C-]=[SiH2].[SiH2]=[C-]c1ccccc1.[Ti+4].[Ti+4].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C41H31.2C21H17.2C9H7.C7H7Si.C3H7.C2H6Si.C2H5.CH3Si.BrH.Hf.2Ti/c1-26-23-40-34(32-17-7-13-28-11-3-5-15-30(28)32)19-9-21-36(40)38(26)25-39-27(2)24-41-35(20-10-22-37(39)41)33-18-8-14-29-12-4-6-16-31(29)33;2*1-2-15-13-17-9-6-12-20(21(17)14-15)19-11-5-8-16-7-3-4-10-18(16)19;2*1-2-5-9-7-3-6-8(9)4-1;8-6-7-4-2-1-3-5-7;2*1-3-2;2*1-2;;;;/h3-25,38-39H,1-2H3;2*3-14H,2H2,1H3;2*1-7H;1-5H,8H2;3H,1-2H3;1-2H3;1H2,2H3;1H,2H2;1H;;;/q7*-1;;2*-1;;+2;2*+4/p-1
InChIKeyWXOZUEJQJSCOHC-UHFFFAOYSA-M
MW1939.52 g/mol
LogP27.36
Rot. Bonds9

About dimethylsilylidenehafnium(2+);ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);bis(1H-inden-1-ide);methanidylidenesilane;1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]naphthalene;phenylmethylidenesilane;propane;bis(titanium(4+));bromide

dimethylsilylidenehafnium(2+);ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);bis(1H-inden-1-ide);methanidylidenesilane;1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]naphthalene;phenylmethylidenesilane;propane;bis(titanium(4+));bromide (PubChem CID 158812830) has the molecular formula C116H107BrHfSi3Ti2 and a molecular weight of 1939.52 g/mol. Its IUPAC name is dimethylsilylidenehafnium(2+);ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);bis(1H-inden-1-ide);methanidylidenesilane;1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]naphthalene;phenylmethylidenesilane;propane;bis(titanium(4+));bromide.

Molecular Properties

Compound Namedimethylsilylidenehafnium(2+);ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);bis(1H-inden-1-ide);methanidylidenesilane;1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]naphthalene;phenylmethylidenesilane;propane;bis(titanium(4+));bromide
PubChem CID158812830
Molecular FormulaC116H107BrHfSi3Ti2
Molecular Weight1939.52 g/mol
Exact Mass1938.53
IUPAC Namedimethylsilylidenehafnium(2+);ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);bis(1H-inden-1-ide);methanidylidenesilane;1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]naphthalene;phenylmethylidenesilane;propane;bis(titanium(4+));bromide
SMILESCC1=Cc2c(-c3cccc4ccccc34)cccc2C1[CH-]C1C(C)=Cc2c(-c3cccc4ccccc34)cccc21.CCc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.CCc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.C[CH-]C.C[Si](C)=[Hf+2].[Br-].[CH2-]C.[H][C-]=[SiH2].[SiH2]=[C-]c1ccccc1.[Ti+4].[Ti+4].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C41H31.2C21H17.2C9H7.C7H7Si.C3H7.C2H6Si.C2H5.CH3Si.BrH.Hf.2Ti/c1-26-23-40-34(32-17-7-13-28-11-3-5-15-30(28)32)19-9-21-36(40)38(26)25-39-27(2)24-41-35(20-10-22-37(39)41)33-18-8-14-29-12-4-6-16-31(29)33;2*1-2-15-13-17-9-6-12-20(21(17)14-15)19-11-5-8-16-7-3-4-10-18(16)19;2*1-2-5-9-7-3-6-8(9)4-1;8-6-7-4-2-1-3-5-7;2*1-3-2;2*1-2;;;;/h3-25,38-39H,1-2H3;2*3-14H,2H2,1H3;2*1-7H;1-5H,8H2;3H,1-2H3;1-2H3;1H2,2H3;1H,2H2;1H;;;/q7*-1;;2*-1;;+2;2*+4/p-1
InChIKeyWXOZUEJQJSCOHC-UHFFFAOYSA-M
XLogP27.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms123
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001939.52
LogP ≤ 527.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dimethylsilylidenehafnium(2+);ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);bis(1H-inden-1-ide);methanidylidenesilane;1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]naphthalene;phenylmethylidenesilane;propane;bis(titanium(4+));bromide with MolForge

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Related Compounds

ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);phenylmethylidenesilane;titanium(4+)
CID 151466825
dimethylsilylidenetitanium(2+);bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);dihydrochloride
CID 87865793
CID 173314388
CID 173314388
bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);bis(zirconium(2+));dichloride
CID 18628506
ethane;bis(1H-inden-1-ide);phenylmethylidenesilane;zirconium(4+)
CID 150561415
ethane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);phenylmethylidenesilane
CID 151250584
carbanide;bis(2-ethyl-4-phenyl-1H-inden-1-ide);hafnium;propane
CID 173162657
CID 173314100
CID 173314100
CID 87865734
CID 87865734
cyclopenta-1,3-diene;ethane;1H-inden-1-ide;phenylmethylidenesilane;zirconium(4+)
CID 151237628
CID 87522045
CID 87522045
CID 87865771
CID 87865771

Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenehafnium(2+);ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);bis(1H-inden-1-ide);methanidylidenesilane;1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]naphthalene;phenylmethylidenesilane;propane;bis(titanium(4+));bromide?
The IUPAC name of dimethylsilylidenehafnium(2+);ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);bis(1H-inden-1-ide);methanidylidenesilane;1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]naphthalene;phenylmethylidenesilane;propane;bis(titanium(4+));bromide (CID 158812830) is dimethylsilylidenehafnium(2+);ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);bis(1H-inden-1-ide);methanidylidenesilane;1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]naphthalene;phenylmethylidenesilane;propane;bis(titanium(4+));bromide.
What is the SMILES notation for dimethylsilylidenehafnium(2+);ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);bis(1H-inden-1-ide);methanidylidenesilane;1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]naphthalene;phenylmethylidenesilane;propane;bis(titanium(4+));bromide?
The canonical SMILES for dimethylsilylidenehafnium(2+);ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);bis(1H-inden-1-ide);methanidylidenesilane;1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]naphthalene;phenylmethylidenesilane;propane;bis(titanium(4+));bromide is CC1=Cc2c(-c3cccc4ccccc34)cccc2C1[CH-]C1C(C)=Cc2c(-c3cccc4ccccc34)cccc21.CCc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.CCc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.C[CH-]C.C[Si](C)=[Hf+2].[Br-].[CH2-]C.[H][C-]=[SiH2].[SiH2]=[C-]c1ccccc1.[Ti+4].[Ti+4].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of dimethylsilylidenehafnium(2+);ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);bis(1H-inden-1-ide);methanidylidenesilane;1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]naphthalene;phenylmethylidenesilane;propane;bis(titanium(4+));bromide?
The InChIKey is WXOZUEJQJSCOHC-UHFFFAOYSA-M. The full InChI is InChI=1S/C41H31.2C21H17.2C9H7.C7H7Si.C3H7.C2H6Si.C2H5.CH3Si.BrH.Hf.2Ti/c1-26-23-40-34(32-17-7-13-28-11-3-5-15-30(28)32)19-9-21-36(40)38(26)25-39-27(2)24-41-35(20-10-22-37(39)41)33-18-8-14-29-12-4-6-16-31(29)33;2*1-2-15-13-17-9-6-12-20(21(17)14-15)19-11-5-8-16-7-3-4-10-18(16)19;2*1-2-5-9-7-3-6-8(9)4-1;8-6-7-4-2-1-3-5-7;2*1-3-2;2*1-2;;;;/h3-25,38-39H,1-2H3;2*3-14H,2H2,1H3;2*1-7H;1-5H,8H2;3H,1-2H3;1-2H3;1H2,2H3;1H,2H2;1H;;;/q7*-1;;2*-1;;+2;2*+4/p-1.
What are the key properties of dimethylsilylidenehafnium(2+);ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);bis(1H-inden-1-ide);methanidylidenesilane;1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]naphthalene;phenylmethylidenesilane;propane;bis(titanium(4+));bromide?
dimethylsilylidenehafnium(2+);ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);bis(1H-inden-1-ide);methanidylidenesilane;1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]naphthalene;phenylmethylidenesilane;propane;bis(titanium(4+));bromide has a molecular weight of 1939.52 g/mol, XLogP of 27.36, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenehafnium(2+);ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);bis(1H-inden-1-ide);methanidylidenesilane;1-[2-methyl-1-[(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)methyl]-1H-inden-4-yl]naphthalene;phenylmethylidenesilane;propane;bis(titanium(4+));bromide is sourced from PubChem (CID 158812830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).