bis(2-ethyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;titanium(4+)

C62H60SiTi — CID 173019982

IUPACbis(2-ethyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;titanium(4+)
SMILESCCc1[cH-]c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc4[cH-]c(CC)c(-c5cccc6ccccc56)c34)c2c1-c1cccc2ccccc12.[CH2-]CCC.[CH2-]CCC.[Ti+4]
InChIInChI=1S/C54H42Si.2C4H9.Ti/c1-3-37-35-41-23-17-33-49(53(41)51(37)47-31-15-21-39-19-11-13-29-45(39)47)55(43-25-7-5-8-26-43,44-27-9-6-10-28-44)50-34-18-24-42-36-38(4-2)52(54(42)50)48-32-16-22-40-20-12-14-30-46(40)48;2*1-3-4-2;/h5-36H,3-4H2,1-2H3;2*1,3-4H2,2H3;/q-2;2*-1;+4
InChIKeyVAAHUUBOPYKCTQ-UHFFFAOYSA-N
MW881.12 g/mol
LogP14.81
Rot. Bonds10

About bis(2-ethyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;titanium(4+)

bis(2-ethyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;titanium(4+) (PubChem CID 173019982) has the molecular formula C62H60SiTi and a molecular weight of 881.12 g/mol. Its IUPAC name is bis(2-ethyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;titanium(4+).

Molecular Properties

Compound Namebis(2-ethyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;titanium(4+)
PubChem CID173019982
Molecular FormulaC62H60SiTi
Molecular Weight881.12 g/mol
Exact Mass880.39
IUPAC Namebis(2-ethyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;titanium(4+)
SMILESCCc1[cH-]c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc4[cH-]c(CC)c(-c5cccc6ccccc56)c34)c2c1-c1cccc2ccccc12.[CH2-]CCC.[CH2-]CCC.[Ti+4]
InChIInChI=1S/C54H42Si.2C4H9.Ti/c1-3-37-35-41-23-17-33-49(53(41)51(37)47-31-15-21-39-19-11-13-29-45(39)47)55(43-25-7-5-8-26-43,44-27-9-6-10-28-44)50-34-18-24-42-36-38(4-2)52(54(42)50)48-32-16-22-40-20-12-14-30-46(40)48;2*1-3-4-2;/h5-36H,3-4H2,1-2H3;2*1,3-4H2,2H3;/q-2;2*-1;+4
InChIKeyVAAHUUBOPYKCTQ-UHFFFAOYSA-N
XLogP14.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.12
LogP ≤ 514.81
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze bis(2-ethyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;titanium(4+) with MolForge

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Related Compounds

bis(2-methyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;zirconium(4+)
CID 173019961
bis(2-ethyl-7-phenyl-3H-inden-3-id-1-yl)-diphenylsilane;butane;hafnium(4+)
CID 173019968
butane;2-ethyl-1-[2-(2-ethyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)propan-2-yl]-3H-cyclopenta[a]naphthalen-3-ide;hafnium(4+)
CID 173019827
butane;hafnium(4+);methyl-bis(2-methyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)-phenylsilane
CID 173020006
(9,10-dinaphthalen-1-yl-6-triphenylsilylanthracen-2-yl)-triphenylsilane
CID 59348604
diethyl 2-naphthalen-1-ylazulene-1,3-dicarboxylate
CID 10834680
[2,5-dimethyl-4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane
CID 123597611
CID 173019928
CID 173019928
ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);phenylmethylidenesilane;titanium(4+)
CID 151466825
bis(9-(2-ethyl-1H-inden-1-id-4-yl)anthracene);hafnium(4+);propane;dihydrochloride
CID 87960958
bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);bis(zirconium(2+));dichloride
CID 18628506
CID 173063807
CID 173063807

Frequently Asked Questions

What is the IUPAC name of bis(2-ethyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;titanium(4+)?
The IUPAC name of bis(2-ethyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;titanium(4+) (CID 173019982) is bis(2-ethyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;titanium(4+).
What is the SMILES notation for bis(2-ethyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;titanium(4+)?
The canonical SMILES for bis(2-ethyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;titanium(4+) is CCc1[cH-]c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc4[cH-]c(CC)c(-c5cccc6ccccc56)c34)c2c1-c1cccc2ccccc12.[CH2-]CCC.[CH2-]CCC.[Ti+4].
What is the InChIKey of bis(2-ethyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;titanium(4+)?
The InChIKey is VAAHUUBOPYKCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42Si.2C4H9.Ti/c1-3-37-35-41-23-17-33-49(53(41)51(37)47-31-15-21-39-19-11-13-29-45(39)47)55(43-25-7-5-8-26-43,44-27-9-6-10-28-44)50-34-18-24-42-36-38(4-2)52(54(42)50)48-32-16-22-40-20-12-14-30-46(40)48;2*1-3-4-2;/h5-36H,3-4H2,1-2H3;2*1,3-4H2,2H3;/q-2;2*-1;+4.
What are the key properties of bis(2-ethyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;titanium(4+)?
bis(2-ethyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;titanium(4+) has a molecular weight of 881.12 g/mol, XLogP of 14.81, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;titanium(4+) is sourced from PubChem (CID 173019982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).