ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);phenylmethylidenesilane;titanium(4+)

C51H46SiTi — CID 151466825

IUPACethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);phenylmethylidenesilane;titanium(4+)
SMILESCCc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.CCc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.[CH2-]C.[SiH2]=[C-]c1ccccc1.[Ti+4]
InChIInChI=1S/2C21H17.C7H7Si.C2H5.Ti/c2*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;8-6-7-4-2-1-3-5-7;1-2;/h2*3-14H,2H2,1H3;1-5H,8H2;1H2,2H3;/q4*-1;+4
InChIKeyPJQBUQVQRVNLFS-UHFFFAOYSA-N
MW734.88 g/mol
LogP13.07
Rot. Bonds5

About ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);phenylmethylidenesilane;titanium(4+)

ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);phenylmethylidenesilane;titanium(4+) (PubChem CID 151466825) has the molecular formula C51H46SiTi and a molecular weight of 734.88 g/mol. Its IUPAC name is ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);phenylmethylidenesilane;titanium(4+).

Molecular Properties

Compound Nameethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);phenylmethylidenesilane;titanium(4+)
PubChem CID151466825
Molecular FormulaC51H46SiTi
Molecular Weight734.88 g/mol
Exact Mass734.28
IUPAC Nameethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);phenylmethylidenesilane;titanium(4+)
SMILESCCc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.CCc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.[CH2-]C.[SiH2]=[C-]c1ccccc1.[Ti+4]
InChIInChI=1S/2C21H17.C7H7Si.C2H5.Ti/c2*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;8-6-7-4-2-1-3-5-7;1-2;/h2*3-14H,2H2,1H3;1-5H,8H2;1H2,2H3;/q4*-1;+4
InChIKeyPJQBUQVQRVNLFS-UHFFFAOYSA-N
XLogP13.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.88
LogP ≤ 513.07
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 ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);phenylmethylidenesilane;titanium(4+) 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

CID 173314388
CID 173314388
bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);bis(zirconium(2+));dichloride
CID 18628506
ethane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);phenylmethylidenesilane
CID 151250584
CID 173314100
CID 173314100
dimethylsilylidenetitanium(2+);bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);dihydrochloride
CID 87865793
CID 87865734
CID 87865734
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
CID 173312536
CID 173312536
CID 87522045
CID 87522045
CID 87865771
CID 87865771
bis(9-(2-ethyl-1H-inden-1-id-4-yl)anthracene);hafnium(4+);propane;dihydrochloride
CID 87960958
tris(2-ethyl-4-phenyl-1H-inden-1-ide);tris(zirconium(2+));trifluoride
CID 18365661

Frequently Asked Questions

What is the IUPAC name of ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);phenylmethylidenesilane;titanium(4+)?
The IUPAC name of ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);phenylmethylidenesilane;titanium(4+) (CID 151466825) is ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);phenylmethylidenesilane;titanium(4+).
What is the SMILES notation for ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);phenylmethylidenesilane;titanium(4+)?
The canonical SMILES for ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);phenylmethylidenesilane;titanium(4+) is CCc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.CCc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.[CH2-]C.[SiH2]=[C-]c1ccccc1.[Ti+4].
What is the InChIKey of ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);phenylmethylidenesilane;titanium(4+)?
The InChIKey is PJQBUQVQRVNLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H17.C7H7Si.C2H5.Ti/c2*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;8-6-7-4-2-1-3-5-7;1-2;/h2*3-14H,2H2,1H3;1-5H,8H2;1H2,2H3;/q4*-1;+4.
What are the key properties of ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);phenylmethylidenesilane;titanium(4+)?
ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);phenylmethylidenesilane;titanium(4+) has a molecular weight of 734.88 g/mol, XLogP of 13.07, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);phenylmethylidenesilane;titanium(4+) is sourced from PubChem (CID 151466825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).