hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene

C40H37HfP-2 — CID 87830474

IUPAChafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene
SMILESCc1cc2ccccc2[cH-]1.Cc1ccccc1P[c-]1ccc2ccccc21.[Hf].c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C16H14P.C14H14.C10H9.Hf/c1-12-6-2-5-9-15(12)17-16-11-10-13-7-3-4-8-14(13)16;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-8-6-9-4-2-3-5-10(9)7-8;/h2-11,17H,1H3;1-10H,11-12H2;2-7H,1H3;/q-1;;-1;
InChIKeyZCFNHVINOUHQDU-UHFFFAOYSA-N
MW727.20 g/mol
LogP9.83
Rot. Bonds5

About hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene

hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene (PubChem CID 87830474) has the molecular formula C40H37HfP-2 and a molecular weight of 727.20 g/mol. Its IUPAC name is hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene.

Molecular Properties

Compound Namehafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene
PubChem CID87830474
Molecular FormulaC40H37HfP-2
Molecular Weight727.20 g/mol
Exact Mass728.21
IUPAC Namehafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene
SMILESCc1cc2ccccc2[cH-]1.Cc1ccccc1P[c-]1ccc2ccccc21.[Hf].c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C16H14P.C14H14.C10H9.Hf/c1-12-6-2-5-9-15(12)17-16-11-10-13-7-3-4-8-14(13)16;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-8-6-9-4-2-3-5-10(9)7-8;/h2-11,17H,1H3;1-10H,11-12H2;2-7H,1H3;/q-1;;-1;
InChIKeyZCFNHVINOUHQDU-UHFFFAOYSA-N
XLogP9.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.20
LogP ≤ 59.83
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

4,7-dimethyl-1H-inden-1-ide;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-phenylethylbenzene;zirconium(2+)
CID 87829343
1,9-dihydrofluoren-1-ide;hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-phenylethylbenzene
CID 87828151
1H-inden-1-id-2-yl(dimethyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene;zirconium(2+)
CID 87828125
2-methyl-1H-inden-1-ide;praseodymium
CID 150206996
chromium(2+);bis(2-methyl-1H-inden-1-ide)
CID 139887885
hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane
CID 87865343
hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-methyl-4-phenyl-1H-inden-1-ide
CID 87829425
carbanide;hafnium;hafnium(4+);bis(2-methyl-1H-inden-1-ide);propane
CID 173263871
bis(2,6-dimethylphenolate);diphenylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide)
CID 159038320
diethylphosphane;2-methyl-1H-inden-1-ide;zirconium(4+);trichloride
CID 158338912
ethane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride
CID 157150414
hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-methyl-1H-inden-1-ide;penta-1,3-diene
CID 161130740

Frequently Asked Questions

What is the IUPAC name of hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene?
The IUPAC name of hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene (CID 87830474) is hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene.
What is the SMILES notation for hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene?
The canonical SMILES for hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene is Cc1cc2ccccc2[cH-]1.Cc1ccccc1P[c-]1ccc2ccccc21.[Hf].c1ccc(CCc2ccccc2)cc1.
What is the InChIKey of hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene?
The InChIKey is ZCFNHVINOUHQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14P.C14H14.C10H9.Hf/c1-12-6-2-5-9-15(12)17-16-11-10-13-7-3-4-8-14(13)16;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-8-6-9-4-2-3-5-10(9)7-8;/h2-11,17H,1H3;1-10H,11-12H2;2-7H,1H3;/q-1;;-1;.
What are the key properties of hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene?
hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene has a molecular weight of 727.20 g/mol, XLogP of 9.83, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene is sourced from PubChem (CID 87830474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).