bis(2,6-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(7-(1H-inden-1-id-2-yl)-1-methylnaphthalene);bis(titanium(2+));dichloride

C82H80Cl2Ti2-2 — CID 19078483

IUPACbis(2,6-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(7-(1H-inden-1-id-2-yl)-1-methylnaphthalene);bis(titanium(2+));dichloride
SMILESCC(C)(C)c1[c-]c2c(cc1)-c1cc(C(C)(C)C)ccc1C2.CC(C)(C)c1[c-]c2c(cc1)-c1cc(C(C)(C)C)ccc1C2.Cc1cccc2ccc(-c3cc4ccccc4[cH-]3)cc12.Cc1cccc2ccc(-c3cc4ccccc4[cH-]3)cc12.[Cl-].[Cl-].[Ti+2].[Ti+2]
InChIInChI=1S/2C21H25.2C20H15.2ClH.2Ti/c2*1-20(2,3)16-9-10-18-15(12-16)11-14-7-8-17(13-19(14)18)21(4,5)6;2*1-14-5-4-8-15-9-10-18(13-20(14)15)19-11-16-6-2-3-7-17(16)12-19;;;;/h2*7-10,13H,11H2,1-6H3;2*2-13H,1H3;2*1H;;/q4*-1;;;2*+2/p-2
InChIKeyNKWZBHAVZAHYSD-UHFFFAOYSA-L
MW1232.18 g/mol
LogP16.68
Rot. Bonds2

About bis(2,6-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(7-(1H-inden-1-id-2-yl)-1-methylnaphthalene);bis(titanium(2+));dichloride

bis(2,6-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(7-(1H-inden-1-id-2-yl)-1-methylnaphthalene);bis(titanium(2+));dichloride (PubChem CID 19078483) has the molecular formula C82H80Cl2Ti2-2 and a molecular weight of 1232.18 g/mol. Its IUPAC name is bis(2,6-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(7-(1H-inden-1-id-2-yl)-1-methylnaphthalene);bis(titanium(2+));dichloride.

Molecular Properties

Compound Namebis(2,6-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(7-(1H-inden-1-id-2-yl)-1-methylnaphthalene);bis(titanium(2+));dichloride
PubChem CID19078483
Molecular FormulaC82H80Cl2Ti2-2
Molecular Weight1232.18 g/mol
Exact Mass1230.46
IUPAC Namebis(2,6-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(7-(1H-inden-1-id-2-yl)-1-methylnaphthalene);bis(titanium(2+));dichloride
SMILESCC(C)(C)c1[c-]c2c(cc1)-c1cc(C(C)(C)C)ccc1C2.CC(C)(C)c1[c-]c2c(cc1)-c1cc(C(C)(C)C)ccc1C2.Cc1cccc2ccc(-c3cc4ccccc4[cH-]3)cc12.Cc1cccc2ccc(-c3cc4ccccc4[cH-]3)cc12.[Cl-].[Cl-].[Ti+2].[Ti+2]
InChIInChI=1S/2C21H25.2C20H15.2ClH.2Ti/c2*1-20(2,3)16-9-10-18-15(12-16)11-14-7-8-17(13-19(14)18)21(4,5)6;2*1-14-5-4-8-15-9-10-18(13-20(14)15)19-11-16-6-2-3-7-17(16)12-19;;;;/h2*7-10,13H,11H2,1-6H3;2*2-13H,1H3;2*1H;;/q4*-1;;;2*+2/p-2
InChIKeyNKWZBHAVZAHYSD-UHFFFAOYSA-L
XLogP16.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001232.18
LogP ≤ 516.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(2,6-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(7-(1H-inden-1-id-2-yl)-1-methylnaphthalene);bis(titanium(2+));dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2,6-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(7-(1H-inden-1-id-2-yl)-1-methylnaphthalene);bis(titanium(2+));dichloride?
The IUPAC name of bis(2,6-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(7-(1H-inden-1-id-2-yl)-1-methylnaphthalene);bis(titanium(2+));dichloride (CID 19078483) is bis(2,6-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(7-(1H-inden-1-id-2-yl)-1-methylnaphthalene);bis(titanium(2+));dichloride.
What is the SMILES notation for bis(2,6-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(7-(1H-inden-1-id-2-yl)-1-methylnaphthalene);bis(titanium(2+));dichloride?
The canonical SMILES for bis(2,6-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(7-(1H-inden-1-id-2-yl)-1-methylnaphthalene);bis(titanium(2+));dichloride is CC(C)(C)c1[c-]c2c(cc1)-c1cc(C(C)(C)C)ccc1C2.CC(C)(C)c1[c-]c2c(cc1)-c1cc(C(C)(C)C)ccc1C2.Cc1cccc2ccc(-c3cc4ccccc4[cH-]3)cc12.Cc1cccc2ccc(-c3cc4ccccc4[cH-]3)cc12.[Cl-].[Cl-].[Ti+2].[Ti+2].
What is the InChIKey of bis(2,6-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(7-(1H-inden-1-id-2-yl)-1-methylnaphthalene);bis(titanium(2+));dichloride?
The InChIKey is NKWZBHAVZAHYSD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C21H25.2C20H15.2ClH.2Ti/c2*1-20(2,3)16-9-10-18-15(12-16)11-14-7-8-17(13-19(14)18)21(4,5)6;2*1-14-5-4-8-15-9-10-18(13-20(14)15)19-11-16-6-2-3-7-17(16)12-19;;;;/h2*7-10,13H,11H2,1-6H3;2*2-13H,1H3;2*1H;;/q4*-1;;;2*+2/p-2.
What are the key properties of bis(2,6-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(7-(1H-inden-1-id-2-yl)-1-methylnaphthalene);bis(titanium(2+));dichloride?
bis(2,6-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(7-(1H-inden-1-id-2-yl)-1-methylnaphthalene);bis(titanium(2+));dichloride has a molecular weight of 1232.18 g/mol, XLogP of 16.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(7-(1H-inden-1-id-2-yl)-1-methylnaphthalene);bis(titanium(2+));dichloride is sourced from PubChem (CID 19078483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).