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

C60H56SiZr — CID 173019961

IUPACbis(2-methyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;zirconium(4+)
SMILESCc1[cH-]c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc4[cH-]c(C)c(-c5cccc6ccccc56)c34)c2c1-c1cccc2ccccc12.[CH2-]CCC.[CH2-]CCC.[Zr+4]
InChIInChI=1S/C52H38Si.2C4H9.Zr/c1-35-33-39-21-15-31-47(51(39)49(35)45-29-13-19-37-17-9-11-27-43(37)45)53(41-23-5-3-6-24-41,42-25-7-4-8-26-42)48-32-16-22-40-34-36(2)50(52(40)48)46-30-14-20-38-18-10-12-28-44(38)46;2*1-3-4-2;/h3-34H,1-2H3;2*1,3-4H2,2H3;/q-2;2*-1;+4
InChIKeyFEGBORZSRWYLRO-UHFFFAOYSA-N
MW896.42 g/mol
LogP14.30
Rot. Bonds8

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

bis(2-methyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;zirconium(4+) (PubChem CID 173019961) has the molecular formula C60H56SiZr and a molecular weight of 896.42 g/mol. Its IUPAC name is bis(2-methyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;zirconium(4+).

Molecular Properties

Compound Namebis(2-methyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;zirconium(4+)
PubChem CID173019961
Molecular FormulaC60H56SiZr
Molecular Weight896.42 g/mol
Exact Mass894.32
IUPAC Namebis(2-methyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;zirconium(4+)
SMILESCc1[cH-]c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc4[cH-]c(C)c(-c5cccc6ccccc56)c34)c2c1-c1cccc2ccccc12.[CH2-]CCC.[CH2-]CCC.[Zr+4]
InChIInChI=1S/C52H38Si.2C4H9.Zr/c1-35-33-39-21-15-31-47(51(39)49(35)45-29-13-19-37-17-9-11-27-43(37)45)53(41-23-5-3-6-24-41,42-25-7-4-8-26-42)48-32-16-22-40-34-36(2)50(52(40)48)46-30-14-20-38-18-10-12-28-44(38)46;2*1-3-4-2;/h3-34H,1-2H3;2*1,3-4H2,2H3;/q-2;2*-1;+4
InChIKeyFEGBORZSRWYLRO-UHFFFAOYSA-N
XLogP14.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.42
LogP ≤ 514.30
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-methyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;zirconium(4+) with MolForge

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Related Compounds

bis(2-ethyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;titanium(4+)
CID 173019982
butane;hafnium(4+);methyl-bis(2-methyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)-phenylsilane
CID 173020006
CID 173063807
CID 173063807
CID 173063857
CID 173063857
bis(2-ethyl-7-phenyl-3H-inden-3-id-1-yl)-diphenylsilane;butane;hafnium(4+)
CID 173019968
[2,5-dimethyl-4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane
CID 123597611
CID 173019928
CID 173019928
(9,10-dinaphthalen-1-yl-6-triphenylsilylanthracen-2-yl)-triphenylsilane
CID 59348604
diethyl 2-naphthalen-1-ylazulene-1,3-dicarboxylate
CID 10834680
butane;9H-fluoren-9-ide;1H-inden-1-ide;zirconium(4+)
CID 173019923
CID 173019871
CID 173019871
9,9-dimethyl-N-[3-[[2-(N-naphthalen-1-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine
CID 168725952

Frequently Asked Questions

What is the IUPAC name of bis(2-methyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;zirconium(4+)?
The IUPAC name of bis(2-methyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;zirconium(4+) (CID 173019961) is bis(2-methyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;zirconium(4+).
What is the SMILES notation for bis(2-methyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;zirconium(4+)?
The canonical SMILES for bis(2-methyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;zirconium(4+) is Cc1[cH-]c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc4[cH-]c(C)c(-c5cccc6ccccc56)c34)c2c1-c1cccc2ccccc12.[CH2-]CCC.[CH2-]CCC.[Zr+4].
What is the InChIKey of bis(2-methyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;zirconium(4+)?
The InChIKey is FEGBORZSRWYLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38Si.2C4H9.Zr/c1-35-33-39-21-15-31-47(51(39)49(35)45-29-13-19-37-17-9-11-27-43(37)45)53(41-23-5-3-6-24-41,42-25-7-4-8-26-42)48-32-16-22-40-34-36(2)50(52(40)48)46-30-14-20-38-18-10-12-28-44(38)46;2*1-3-4-2;/h3-34H,1-2H3;2*1,3-4H2,2H3;/q-2;2*-1;+4.
What are the key properties of bis(2-methyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;zirconium(4+)?
bis(2-methyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;zirconium(4+) has a molecular weight of 896.42 g/mol, XLogP of 14.30, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;zirconium(4+) is sourced from PubChem (CID 173019961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).