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

C19H13Zr- — CID 152569532

IUPAC1-(1H-inden-1-id-2-yl)naphthalene;zirconium
SMILES[Zr].c1ccc2[cH-]c(-c3cccc4ccccc34)cc2c1
InChIInChI=1S/C19H13.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;/q-1;
InChIKeyVNJGHDHYIRDSQK-UHFFFAOYSA-N
MW332.54 g/mol
LogP5.38
Rot. Bonds1

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

1-(1H-inden-1-id-2-yl)naphthalene;zirconium (PubChem CID 152569532) has the molecular formula C19H13Zr- and a molecular weight of 332.54 g/mol. Its IUPAC name is 1-(1H-inden-1-id-2-yl)naphthalene;zirconium.

Molecular Properties

Compound Name1-(1H-inden-1-id-2-yl)naphthalene;zirconium
PubChem CID152569532
Molecular FormulaC19H13Zr-
Molecular Weight332.54 g/mol
Exact Mass331.01
IUPAC Name1-(1H-inden-1-id-2-yl)naphthalene;zirconium
SMILES[Zr].c1ccc2[cH-]c(-c3cccc4ccccc34)cc2c1
InChIInChI=1S/C19H13.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;/q-1;
InChIKeyVNJGHDHYIRDSQK-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.54
LogP ≤ 55.38
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

carbanide;1-(1H-inden-1-id-2-yl)naphthalene;zirconium(3+)
CID 173277586
CID 87500337
CID 87500337
CID 173147936
CID 173147936
CID 87481733
CID 87481733
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
CID 87865812
CID 87865812
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
magnesium;carbanide;2-phenyl-1H-inden-1-ide
CID 141374926
CID 150385973
CID 150385973

Frequently Asked Questions

What is the IUPAC name of 1-(1H-inden-1-id-2-yl)naphthalene;zirconium?
The IUPAC name of 1-(1H-inden-1-id-2-yl)naphthalene;zirconium (CID 152569532) is 1-(1H-inden-1-id-2-yl)naphthalene;zirconium.
What is the SMILES notation for 1-(1H-inden-1-id-2-yl)naphthalene;zirconium?
The canonical SMILES for 1-(1H-inden-1-id-2-yl)naphthalene;zirconium is [Zr].c1ccc2[cH-]c(-c3cccc4ccccc34)cc2c1.
What is the InChIKey of 1-(1H-inden-1-id-2-yl)naphthalene;zirconium?
The InChIKey is VNJGHDHYIRDSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13.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;/q-1;.
What are the key properties of 1-(1H-inden-1-id-2-yl)naphthalene;zirconium?
1-(1H-inden-1-id-2-yl)naphthalene;zirconium has a molecular weight of 332.54 g/mol, XLogP of 5.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-inden-1-id-2-yl)naphthalene;zirconium is sourced from PubChem (CID 152569532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).