1,9-dihydrofluoren-1-ide;hafnium(4+);1H-inden-1-id-2-yl(diphenyl)phosphane;dichloride

C34H25Cl2HfP — CID 21096303

IUPAC1,9-dihydrofluoren-1-ide;hafnium(4+);1H-inden-1-id-2-yl(diphenyl)phosphane;dichloride
SMILES[Cl-].[Cl-].[Hf+4].[c-]1cccc2c1Cc1ccccc1-2.c1ccc(P(c2ccccc2)c2cc3ccccc3[cH-]2)cc1
InChIInChI=1S/C21H16P.C13H9.2ClH.Hf/c1-3-11-19(12-4-1)22(20-13-5-2-6-14-20)21-15-17-9-7-8-10-18(17)16-21;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;;/h1-16H;1-5,7-8H,9H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyKHPQMVMNJUCLLK-UHFFFAOYSA-L
MW713.94 g/mol
LogP1.38
Rot. Bonds3

About 1,9-dihydrofluoren-1-ide;hafnium(4+);1H-inden-1-id-2-yl(diphenyl)phosphane;dichloride

1,9-dihydrofluoren-1-ide;hafnium(4+);1H-inden-1-id-2-yl(diphenyl)phosphane;dichloride (PubChem CID 21096303) has the molecular formula C34H25Cl2HfP and a molecular weight of 713.94 g/mol. Its IUPAC name is 1,9-dihydrofluoren-1-ide;hafnium(4+);1H-inden-1-id-2-yl(diphenyl)phosphane;dichloride.

Molecular Properties

Compound Name1,9-dihydrofluoren-1-ide;hafnium(4+);1H-inden-1-id-2-yl(diphenyl)phosphane;dichloride
PubChem CID21096303
Molecular FormulaC34H25Cl2HfP
Molecular Weight713.94 g/mol
Exact Mass714.05
IUPAC Name1,9-dihydrofluoren-1-ide;hafnium(4+);1H-inden-1-id-2-yl(diphenyl)phosphane;dichloride
SMILES[Cl-].[Cl-].[Hf+4].[c-]1cccc2c1Cc1ccccc1-2.c1ccc(P(c2ccccc2)c2cc3ccccc3[cH-]2)cc1
InChIInChI=1S/C21H16P.C13H9.2ClH.Hf/c1-3-11-19(12-4-1)22(20-13-5-2-6-14-20)21-15-17-9-7-8-10-18(17)16-21;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;;/h1-16H;1-5,7-8H,9H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyKHPQMVMNJUCLLK-UHFFFAOYSA-L
XLogP1.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500713.94
LogP ≤ 51.38
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

1,9-dihydrofluoren-1-ide;hafnium(4+);1H-inden-1-id-2-yl(dimethyl)phosphane;dichloride
CID 21096108
1,9-dihydrofluoren-1-ide;1H-inden-1-id-2-yl(diphenyl)phosphane;penta-1,3-diene;titanium(2+)
CID 161016157
bis(di(butan-2-yl)-(1H-inden-1-id-2-yl)phosphane);bis(1,9-dihydrofluoren-1-ide);bis(zirconium(2+));dichloride
CID 21096373
dicyclohexyl(1H-inden-1-id-2-yl)phosphane;1,9-dihydrofluoren-1-ide;titanium(4+);dichloride
CID 87828214
bis(1H-inden-1-id-2-yl(diphenyl)phosphane);zirconium(4+);difluoride
CID 87829129
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);zirconium(3+);trichloride
CID 157229521
1,9-dihydrofluoren-1-ide;titanium(4+);trifluoride
CID 173097726
1,9-dihydrofluoren-1-ide;vanadium(4+);trichloride
CID 173274804
1,9-dihydrofluoren-1-ide;1H-inden-1-ide;titanium(2+)
CID 154095887
1,9-dihydrofluoren-1-ide;ethene;1H-inden-1-ide;titanium(4+);dichloride
CID 161292139
bis(1,9-dihydrofluoren-1-ide);methane;zirconium(2+)
CID 22027323

Frequently Asked Questions

What is the IUPAC name of 1,9-dihydrofluoren-1-ide;hafnium(4+);1H-inden-1-id-2-yl(diphenyl)phosphane;dichloride?
The IUPAC name of 1,9-dihydrofluoren-1-ide;hafnium(4+);1H-inden-1-id-2-yl(diphenyl)phosphane;dichloride (CID 21096303) is 1,9-dihydrofluoren-1-ide;hafnium(4+);1H-inden-1-id-2-yl(diphenyl)phosphane;dichloride.
What is the SMILES notation for 1,9-dihydrofluoren-1-ide;hafnium(4+);1H-inden-1-id-2-yl(diphenyl)phosphane;dichloride?
The canonical SMILES for 1,9-dihydrofluoren-1-ide;hafnium(4+);1H-inden-1-id-2-yl(diphenyl)phosphane;dichloride is [Cl-].[Cl-].[Hf+4].[c-]1cccc2c1Cc1ccccc1-2.c1ccc(P(c2ccccc2)c2cc3ccccc3[cH-]2)cc1.
What is the InChIKey of 1,9-dihydrofluoren-1-ide;hafnium(4+);1H-inden-1-id-2-yl(diphenyl)phosphane;dichloride?
The InChIKey is KHPQMVMNJUCLLK-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H16P.C13H9.2ClH.Hf/c1-3-11-19(12-4-1)22(20-13-5-2-6-14-20)21-15-17-9-7-8-10-18(17)16-21;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;;/h1-16H;1-5,7-8H,9H2;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of 1,9-dihydrofluoren-1-ide;hafnium(4+);1H-inden-1-id-2-yl(diphenyl)phosphane;dichloride?
1,9-dihydrofluoren-1-ide;hafnium(4+);1H-inden-1-id-2-yl(diphenyl)phosphane;dichloride has a molecular weight of 713.94 g/mol, XLogP of 1.38, 3 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;hafnium(4+);1H-inden-1-id-2-yl(diphenyl)phosphane;dichloride is sourced from PubChem (CID 21096303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).