1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;zirconium(2+)

C25H21PZr — CID 87828894

IUPAC1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;zirconium(2+)
SMILESCc1[cH-]c2ccccc2c1Pc1ccccc1.[Zr+2].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C16H14P.C9H7.Zr/c1-12-11-13-7-5-6-10-15(13)16(12)17-14-8-3-2-4-9-14;1-2-5-9-7-3-6-8(9)4-1;/h2-11,17H,1H3;1-7H;/q2*-1;+2
InChIKeyVKQPOIXMRWLTIK-UHFFFAOYSA-N
MW443.64 g/mol
LogP6.05
Rot. Bonds2

About 1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;zirconium(2+)

1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;zirconium(2+) (PubChem CID 87828894) has the molecular formula C25H21PZr and a molecular weight of 443.64 g/mol. Its IUPAC name is 1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;zirconium(2+).

Molecular Properties

Compound Name1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;zirconium(2+)
PubChem CID87828894
Molecular FormulaC25H21PZr
Molecular Weight443.64 g/mol
Exact Mass442.04
IUPAC Name1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;zirconium(2+)
SMILESCc1[cH-]c2ccccc2c1Pc1ccccc1.[Zr+2].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C16H14P.C9H7.Zr/c1-12-11-13-7-5-6-10-15(13)16(12)17-14-8-3-2-4-9-14;1-2-5-9-7-3-6-8(9)4-1;/h2-11,17H,1H3;1-7H;/q2*-1;+2
InChIKeyVKQPOIXMRWLTIK-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.64
LogP ≤ 56.05
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(4+);1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;difluoride
CID 87830460
CID 172782986
CID 172782986
2,3-dimethyl-1H-inden-1-ide;1H-inden-1-ide;silylidenetitanium(2+)
CID 161494511
(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);difluoride
CID 87829307
cyclopenta-1,3-diene;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(2+)
CID 87830483
9H-fluoren-9-ide;1H-inden-1-ide;propane;zirconium(3+)
CID 173317485
CID 173309894
CID 173309894
ethene;9H-fluoren-9-ide;hafnium;bis(1H-inden-1-ide)
CID 173236911
CID 173309893
CID 173309893
cyclopenta-1,3-diene;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(4+);dichloride
CID 87829431
CID 173237181
CID 173237181
hafnium(4+);(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;2-methyl-4-phenyl-1H-inden-1-ide;difluoride
CID 87830362

Frequently Asked Questions

What is the IUPAC name of 1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;zirconium(2+)?
The IUPAC name of 1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;zirconium(2+) (CID 87828894) is 1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;zirconium(2+).
What is the SMILES notation for 1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;zirconium(2+)?
The canonical SMILES for 1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;zirconium(2+) is Cc1[cH-]c2ccccc2c1Pc1ccccc1.[Zr+2].c1ccc2[cH-]ccc2c1.
What is the InChIKey of 1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;zirconium(2+)?
The InChIKey is VKQPOIXMRWLTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14P.C9H7.Zr/c1-12-11-13-7-5-6-10-15(13)16(12)17-14-8-3-2-4-9-14;1-2-5-9-7-3-6-8(9)4-1;/h2-11,17H,1H3;1-7H;/q2*-1;+2.
What are the key properties of 1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;zirconium(2+)?
1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;zirconium(2+) has a molecular weight of 443.64 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;zirconium(2+) is sourced from PubChem (CID 87828894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).