bis(dibutyl(1H-inden-1-id-2-yl)phosphane);titanium(2+)

C34H48P2Ti — CID 21096598

IUPACbis(dibutyl(1H-inden-1-id-2-yl)phosphane);titanium(2+)
SMILESCCCCP(CCCC)c1cc2ccccc2[cH-]1.CCCCP(CCCC)c1cc2ccccc2[cH-]1.[Ti+2]
InChIInChI=1S/2C17H24P.Ti/c2*1-3-5-11-18(12-6-4-2)17-13-15-9-7-8-10-16(15)14-17;/h2*7-10,13-14H,3-6,11-12H2,1-2H3;/q2*-1;+2
InChIKeyJSXAOQBWSFLCCT-UHFFFAOYSA-N
MW566.57 g/mol
LogP10.53
Rot. Bonds14

About bis(dibutyl(1H-inden-1-id-2-yl)phosphane);titanium(2+)

bis(dibutyl(1H-inden-1-id-2-yl)phosphane);titanium(2+) (PubChem CID 21096598) has the molecular formula C34H48P2Ti and a molecular weight of 566.57 g/mol. Its IUPAC name is bis(dibutyl(1H-inden-1-id-2-yl)phosphane);titanium(2+).

Molecular Properties

Compound Namebis(dibutyl(1H-inden-1-id-2-yl)phosphane);titanium(2+)
PubChem CID21096598
Molecular FormulaC34H48P2Ti
Molecular Weight566.57 g/mol
Exact Mass566.27
IUPAC Namebis(dibutyl(1H-inden-1-id-2-yl)phosphane);titanium(2+)
SMILESCCCCP(CCCC)c1cc2ccccc2[cH-]1.CCCCP(CCCC)c1cc2ccccc2[cH-]1.[Ti+2]
InChIInChI=1S/2C17H24P.Ti/c2*1-3-5-11-18(12-6-4-2)17-13-15-9-7-8-10-16(15)14-17;/h2*7-10,13-14H,3-6,11-12H2,1-2H3;/q2*-1;+2
InChIKeyJSXAOQBWSFLCCT-UHFFFAOYSA-N
XLogP10.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.57
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dihexyl(1H-inden-1-id-2-yl)phosphane;1H-inden-1-id-2-yl(dipropyl)phosphane;zirconium(4+);dichloride
CID 87829716
dibutyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane;dichloride
CID 21096158
bis(1H-inden-1-id-2-yl(dipropyl)phosphane);zirconium(4+);difluoride
CID 87829356
bis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 21095933
dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride
CID 21095943
ditert-butyl(1H-inden-1-id-2-yl)phosphane;1H-inden-1-id-2-yl(dipropyl)phosphane;zirconium(4+);dichloride
CID 87830275
bis(cyclopenta-1,3-diene);bis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(titanium(2+));dichloride
CID 21095938
di(butan-2-yl)-(1H-inden-1-id-2-yl)phosphane;dihexyl(1H-inden-1-id-2-yl)phosphane;titanium(4+);dichloride
CID 87828912
hafnium(4+);1H-inden-1-ide;1H-inden-1-id-2-yl(dipropyl)phosphane;dichloride
CID 21096230
bis(1H-inden-1-id-2-yl(dimethyl)phosphane);titanium(2+)
CID 21096581
dihexyl(1H-inden-1-id-2-yl)phosphane;2-pentan-2-ylcyclopenta-1,3-diene;titanium(4+);dichloride
CID 87828098
bis(1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane);titanium(4+);dichloride
CID 87828810

Frequently Asked Questions

What is the IUPAC name of bis(dibutyl(1H-inden-1-id-2-yl)phosphane);titanium(2+)?
The IUPAC name of bis(dibutyl(1H-inden-1-id-2-yl)phosphane);titanium(2+) (CID 21096598) is bis(dibutyl(1H-inden-1-id-2-yl)phosphane);titanium(2+).
What is the SMILES notation for bis(dibutyl(1H-inden-1-id-2-yl)phosphane);titanium(2+)?
The canonical SMILES for bis(dibutyl(1H-inden-1-id-2-yl)phosphane);titanium(2+) is CCCCP(CCCC)c1cc2ccccc2[cH-]1.CCCCP(CCCC)c1cc2ccccc2[cH-]1.[Ti+2].
What is the InChIKey of bis(dibutyl(1H-inden-1-id-2-yl)phosphane);titanium(2+)?
The InChIKey is JSXAOQBWSFLCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H24P.Ti/c2*1-3-5-11-18(12-6-4-2)17-13-15-9-7-8-10-16(15)14-17;/h2*7-10,13-14H,3-6,11-12H2,1-2H3;/q2*-1;+2.
What are the key properties of bis(dibutyl(1H-inden-1-id-2-yl)phosphane);titanium(2+)?
bis(dibutyl(1H-inden-1-id-2-yl)phosphane);titanium(2+) has a molecular weight of 566.57 g/mol, XLogP of 10.53, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dibutyl(1H-inden-1-id-2-yl)phosphane);titanium(2+) is sourced from PubChem (CID 21096598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).