tetrakis(1H-naphthalen-1-ide);thorium(4+)

C40H28Th — CID 159130001

IUPACtetrakis(1H-naphthalen-1-ide);thorium(4+)
SMILES[Th+4].[c-]1cccc2ccccc12.[c-]1cccc2ccccc12.[c-]1cccc2ccccc12.[c-]1cccc2ccccc12
InChIInChI=1S/4C10H7.Th/c4*1-2-6-10-8-4-3-7-9(10)5-1;/h4*1-7H;/q4*-1;+4
InChIKeyKGTOPHRLEYSOAZ-UHFFFAOYSA-N
MW740.70 g/mol
LogP10.56
Rot. Bonds

About tetrakis(1H-naphthalen-1-ide);thorium(4+)

tetrakis(1H-naphthalen-1-ide);thorium(4+) (PubChem CID 159130001) has the molecular formula C40H28Th and a molecular weight of 740.70 g/mol. Its IUPAC name is tetrakis(1H-naphthalen-1-ide);thorium(4+).

Molecular Properties

Compound Nametetrakis(1H-naphthalen-1-ide);thorium(4+)
PubChem CID159130001
Molecular FormulaC40H28Th
Molecular Weight740.70 g/mol
Exact Mass740.26
IUPAC Nametetrakis(1H-naphthalen-1-ide);thorium(4+)
SMILES[Th+4].[c-]1cccc2ccccc12.[c-]1cccc2ccccc12.[c-]1cccc2ccccc12.[c-]1cccc2ccccc12
InChIInChI=1S/4C10H7.Th/c4*1-2-6-10-8-4-3-7-9(10)5-1;/h4*1-7H;/q4*-1;+4
InChIKeyKGTOPHRLEYSOAZ-UHFFFAOYSA-N
XLogP10.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.70
LogP ≤ 510.56
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

zinc bis(1H-naphthalen-1-ide)
CID 54742063
lithium;carbon monoxide;chromium;1H-naphthalen-1-ide
CID 134898743
diphenylphosphane;bis(1H-naphthalen-1-ide);palladium(2+)
CID 174537984
dichloropalladium;bis(diphenylphosphane);bis(1H-naphthalen-1-ide)
CID 156694955
bis(1H-naphthalen-1-ide);bis(naphthalen-1-ol);oxotitanium(2+)
CID 88801704
1,7-dihydronaphthalene-1,7-diide;bis(yttrium)
CID 155760532
cerium;1H-phenanthren-1-ide
CID 175872569
1,8-dihydronaphthalene-1,8-diide;uranium;vanadium
CID 59779328
lithium 8H-naphthalen-8-ide-2-sulfonic acid
CID 174758824
iridium;phenylbenzene
CID 58599975
trilithium;3,5-dihydro-1H-anthracene-1,3,5-triide
CID 19737531
9H-benzo[g]quinolin-9-ide
CID 102325536

Frequently Asked Questions

What is the IUPAC name of tetrakis(1H-naphthalen-1-ide);thorium(4+)?
The IUPAC name of tetrakis(1H-naphthalen-1-ide);thorium(4+) (CID 159130001) is tetrakis(1H-naphthalen-1-ide);thorium(4+).
What is the SMILES notation for tetrakis(1H-naphthalen-1-ide);thorium(4+)?
The canonical SMILES for tetrakis(1H-naphthalen-1-ide);thorium(4+) is [Th+4].[c-]1cccc2ccccc12.[c-]1cccc2ccccc12.[c-]1cccc2ccccc12.[c-]1cccc2ccccc12.
What is the InChIKey of tetrakis(1H-naphthalen-1-ide);thorium(4+)?
The InChIKey is KGTOPHRLEYSOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H7.Th/c4*1-2-6-10-8-4-3-7-9(10)5-1;/h4*1-7H;/q4*-1;+4.
What are the key properties of tetrakis(1H-naphthalen-1-ide);thorium(4+)?
tetrakis(1H-naphthalen-1-ide);thorium(4+) has a molecular weight of 740.70 g/mol, XLogP of 10.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1H-naphthalen-1-ide);thorium(4+) is sourced from PubChem (CID 159130001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).