hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-methyl-4-phenyl-1H-inden-1-ide

C32H27HfP-2 — CID 87829425

IUPAChafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-methyl-4-phenyl-1H-inden-1-ide
SMILESCc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1ccccc1Pc1cc2ccccc2[cH-]1.[Hf]
InChIInChI=1S/C16H14P.C16H13.Hf/c1-12-6-2-5-9-16(12)17-15-10-13-7-3-4-8-14(13)11-15;1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;/h2-11,17H,1H3;2-11H,1H3;/q2*-1;
InChIKeyMMLJQHJBTAJOHT-UHFFFAOYSA-N
MW621.03 g/mol
LogP8.03
Rot. Bonds3

About hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-methyl-4-phenyl-1H-inden-1-ide

hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-methyl-4-phenyl-1H-inden-1-ide (PubChem CID 87829425) has the molecular formula C32H27HfP-2 and a molecular weight of 621.03 g/mol. Its IUPAC name is hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-methyl-4-phenyl-1H-inden-1-ide.

Molecular Properties

Compound Namehafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-methyl-4-phenyl-1H-inden-1-ide
PubChem CID87829425
Molecular FormulaC32H27HfP-2
Molecular Weight621.03 g/mol
Exact Mass622.13
IUPAC Namehafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-methyl-4-phenyl-1H-inden-1-ide
SMILESCc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1ccccc1Pc1cc2ccccc2[cH-]1.[Hf]
InChIInChI=1S/C16H14P.C16H13.Hf/c1-12-6-2-5-9-16(12)17-15-10-13-7-3-4-8-14(13)11-15;1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;/h2-11,17H,1H3;2-11H,1H3;/q2*-1;
InChIKeyMMLJQHJBTAJOHT-UHFFFAOYSA-N
XLogP8.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.03
LogP ≤ 58.03
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

hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane
CID 87865343
hafnium;2-methyl-4-phenyl-1H-inden-1-ide
CID 154081664
9H-fluoren-9-ide;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;zirconium(2+)
CID 87829494
9H-fluoren-9-ide;hafnium(4+);1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;difluoride
CID 87830235
bis(2-methyl-4-phenyl-1H-inden-1-ide);bis(titanium(2+));dichloride
CID 22104595
hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-methyl-1H-inden-1-ide;penta-1,3-diene
CID 161130740
CID 173284099
CID 173284099
CID 173168918
CID 173168918
dichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide
CID 173091185
tris(dimethylsilylidenezirconium(2+));bis(2-methyl-1H-inden-1-ide);bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-4-phenyl-1H-inden-1-ide);tetrahydrochloride
CID 172741772
4,7-dimethyl-1H-inden-1-ide;hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane
CID 87830434
bis(1H-inden-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));difluoride
CID 21096471

Frequently Asked Questions

What is the IUPAC name of hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-methyl-4-phenyl-1H-inden-1-ide?
The IUPAC name of hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-methyl-4-phenyl-1H-inden-1-ide (CID 87829425) is hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-methyl-4-phenyl-1H-inden-1-ide.
What is the SMILES notation for hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-methyl-4-phenyl-1H-inden-1-ide?
The canonical SMILES for hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-methyl-4-phenyl-1H-inden-1-ide is Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1ccccc1Pc1cc2ccccc2[cH-]1.[Hf].
What is the InChIKey of hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-methyl-4-phenyl-1H-inden-1-ide?
The InChIKey is MMLJQHJBTAJOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14P.C16H13.Hf/c1-12-6-2-5-9-16(12)17-15-10-13-7-3-4-8-14(13)11-15;1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;/h2-11,17H,1H3;2-11H,1H3;/q2*-1;.
What are the key properties of hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-methyl-4-phenyl-1H-inden-1-ide?
hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-methyl-4-phenyl-1H-inden-1-ide has a molecular weight of 621.03 g/mol, XLogP of 8.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-methyl-4-phenyl-1H-inden-1-ide is sourced from PubChem (CID 87829425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).