carbanide;1-(1H-inden-1-id-2-yl)naphthalene;zirconium(3+)

C21H19Zr — CID 173277586

IUPACcarbanide;1-(1H-inden-1-id-2-yl)naphthalene;zirconium(3+)
SMILES[CH3-].[CH3-].[Zr+3].c1ccc2[cH-]c(-c3cccc4ccccc34)cc2c1
InChIInChI=1S/C19H13.2CH3.Zr/c1-2-8-16-13-17(12-15(16)7-1)19-11-5-9-14-6-3-4-10-18(14)19;;;/h1-13H;2*1H3;/q3*-1;+3
InChIKeyFRFJBZAVWGKDPY-UHFFFAOYSA-N
MW362.61 g/mol
LogP6.28
Rot. Bonds1

About carbanide;1-(1H-inden-1-id-2-yl)naphthalene;zirconium(3+)

carbanide;1-(1H-inden-1-id-2-yl)naphthalene;zirconium(3+) (PubChem CID 173277586) has the molecular formula C21H19Zr and a molecular weight of 362.61 g/mol. Its IUPAC name is carbanide;1-(1H-inden-1-id-2-yl)naphthalene;zirconium(3+).

Molecular Properties

Compound Namecarbanide;1-(1H-inden-1-id-2-yl)naphthalene;zirconium(3+)
PubChem CID173277586
Molecular FormulaC21H19Zr
Molecular Weight362.61 g/mol
Exact Mass361.05
IUPAC Namecarbanide;1-(1H-inden-1-id-2-yl)naphthalene;zirconium(3+)
SMILES[CH3-].[CH3-].[Zr+3].c1ccc2[cH-]c(-c3cccc4ccccc34)cc2c1
InChIInChI=1S/C19H13.2CH3.Zr/c1-2-8-16-13-17(12-15(16)7-1)19-11-5-9-14-6-3-4-10-18(14)19;;;/h1-13H;2*1H3;/q3*-1;+3
InChIKeyFRFJBZAVWGKDPY-UHFFFAOYSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.61
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-(1H-inden-1-id-2-yl)naphthalene;zirconium
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magnesium;carbanide;2-phenyl-1H-inden-1-ide
CID 141374926
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CID 173314100
CID 173314100
CID 173161432
CID 173161432
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
CID 175282704
CID 175282704
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251

Frequently Asked Questions

What is the IUPAC name of carbanide;1-(1H-inden-1-id-2-yl)naphthalene;zirconium(3+)?
The IUPAC name of carbanide;1-(1H-inden-1-id-2-yl)naphthalene;zirconium(3+) (CID 173277586) is carbanide;1-(1H-inden-1-id-2-yl)naphthalene;zirconium(3+).
What is the SMILES notation for carbanide;1-(1H-inden-1-id-2-yl)naphthalene;zirconium(3+)?
The canonical SMILES for carbanide;1-(1H-inden-1-id-2-yl)naphthalene;zirconium(3+) is [CH3-].[CH3-].[Zr+3].c1ccc2[cH-]c(-c3cccc4ccccc34)cc2c1.
What is the InChIKey of carbanide;1-(1H-inden-1-id-2-yl)naphthalene;zirconium(3+)?
The InChIKey is FRFJBZAVWGKDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13.2CH3.Zr/c1-2-8-16-13-17(12-15(16)7-1)19-11-5-9-14-6-3-4-10-18(14)19;;;/h1-13H;2*1H3;/q3*-1;+3.
What are the key properties of carbanide;1-(1H-inden-1-id-2-yl)naphthalene;zirconium(3+)?
carbanide;1-(1H-inden-1-id-2-yl)naphthalene;zirconium(3+) has a molecular weight of 362.61 g/mol, XLogP of 6.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-(1H-inden-1-id-2-yl)naphthalene;zirconium(3+) is sourced from PubChem (CID 173277586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).