1,9-dihydrofluoren-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(4+);dichloride

C29H23Cl2PTi — CID 87829272

IUPAC1,9-dihydrofluoren-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(4+);dichloride
SMILESCc1[cH-]c2ccccc2c1Pc1ccccc1.[Cl-].[Cl-].[Ti+4].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C16H14P.C13H9.2ClH.Ti/c1-12-11-13-7-5-6-10-15(13)16(12)17-14-8-3-2-4-9-14;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;;/h2-11,17H,1H3;1-5,7-8H,9H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyUDTVHZNHRMQPNZ-UHFFFAOYSA-L
MW521.25 g/mol
LogP0.56
Rot. Bonds2

About 1,9-dihydrofluoren-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(4+);dichloride

1,9-dihydrofluoren-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(4+);dichloride (PubChem CID 87829272) has the molecular formula C29H23Cl2PTi and a molecular weight of 521.25 g/mol. Its IUPAC name is 1,9-dihydrofluoren-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(4+);dichloride.

Molecular Properties

Compound Name1,9-dihydrofluoren-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(4+);dichloride
PubChem CID87829272
Molecular FormulaC29H23Cl2PTi
Molecular Weight521.25 g/mol
Exact Mass520.04
IUPAC Name1,9-dihydrofluoren-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(4+);dichloride
SMILESCc1[cH-]c2ccccc2c1Pc1ccccc1.[Cl-].[Cl-].[Ti+4].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C16H14P.C13H9.2ClH.Ti/c1-12-11-13-7-5-6-10-15(13)16(12)17-14-8-3-2-4-9-14;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;;/h2-11,17H,1H3;1-5,7-8H,9H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyUDTVHZNHRMQPNZ-UHFFFAOYSA-L
XLogP0.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.25
LogP ≤ 50.56
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

bis(1,9-dihydrofluoren-1-ide);ethane;titanium(4+)
CID 19698863
1,9-dihydrofluoren-1-ide;titanium(4+);trifluoride
CID 173097726
bis(1,9-dihydrofluoren-1-ide);zirconium(3+);trichloride
CID 157229521
1,9-dihydrofluoren-1-ide;vanadium(4+);trichloride
CID 173274804
cyclopenta-1,3-diene;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(4+);dichloride
CID 87829431
1,9-dihydrofluoren-1-ide;ethene;1H-inden-1-ide;titanium(4+);dichloride
CID 161292139
1,9-dihydrofluoren-1-ide;(2,4-dimethylcyclopenta-1,4-dien-1-yl)benzene;zirconium(4+);dichloride
CID 172785188
bis(1,9-dihydrofluoren-1-ide);methane;zirconium(2+)
CID 22027323
1,9-dihydrofluoren-1-ide;zirconium(4+);tribromide
CID 173097773
CID 159626377
CID 159626377
bis(1,9-dihydrofluoren-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));dichloride
CID 21096461
bis(1,9-dihydrofluoren-1-ide);dimethylgermylidenezirconium(2+);dichloride
CID 159771388

Frequently Asked Questions

What is the IUPAC name of 1,9-dihydrofluoren-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(4+);dichloride?
The IUPAC name of 1,9-dihydrofluoren-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(4+);dichloride (CID 87829272) is 1,9-dihydrofluoren-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(4+);dichloride.
What is the SMILES notation for 1,9-dihydrofluoren-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(4+);dichloride?
The canonical SMILES for 1,9-dihydrofluoren-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(4+);dichloride is Cc1[cH-]c2ccccc2c1Pc1ccccc1.[Cl-].[Cl-].[Ti+4].[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1,9-dihydrofluoren-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(4+);dichloride?
The InChIKey is UDTVHZNHRMQPNZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H14P.C13H9.2ClH.Ti/c1-12-11-13-7-5-6-10-15(13)16(12)17-14-8-3-2-4-9-14;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;;/h2-11,17H,1H3;1-5,7-8H,9H2;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of 1,9-dihydrofluoren-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(4+);dichloride?
1,9-dihydrofluoren-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(4+);dichloride has a molecular weight of 521.25 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dihydrofluoren-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(4+);dichloride is sourced from PubChem (CID 87829272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).