2-dinaphthalen-2-ylarsorylnaphthalene

C30H21AsO — CID 177401201

IUPAC2-dinaphthalen-2-ylarsorylnaphthalene
SMILESO=[As](c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C30H21AsO/c32-31(28-16-13-22-7-1-4-10-25(22)19-28,29-17-14-23-8-2-5-11-26(23)20-29)30-18-15-24-9-3-6-12-27(24)21-30/h1-21H
InChIKeyOBQYWIVAQPLEJZ-UHFFFAOYSA-N
MW472.42 g/mol
LogP5.54
Rot. Bonds3

About 2-dinaphthalen-2-ylarsorylnaphthalene

2-dinaphthalen-2-ylarsorylnaphthalene (PubChem CID 177401201) has the molecular formula C30H21AsO and a molecular weight of 472.42 g/mol. Its IUPAC name is 2-dinaphthalen-2-ylarsorylnaphthalene.

Molecular Properties

Compound Name2-dinaphthalen-2-ylarsorylnaphthalene
PubChem CID177401201
Molecular FormulaC30H21AsO
Molecular Weight472.42 g/mol
Exact Mass472.08
IUPAC Name2-dinaphthalen-2-ylarsorylnaphthalene
SMILESO=[As](c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C30H21AsO/c32-31(28-16-13-22-7-1-4-10-25(22)19-28,29-17-14-23-8-2-5-11-26(23)20-29)30-18-15-24-9-3-6-12-27(24)21-30/h1-21H
InChIKeyOBQYWIVAQPLEJZ-UHFFFAOYSA-N
XLogP5.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.42
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(trinaphthalen-2-ylmethyl)naphthalene
CID 101401266
anthracene;ethane;naphthalene
CID 159079166
2,6-dimethylnaphthalene;2-methylnaphthalene
CID 158480305
2-bromonaphthalene
CID 50940586
Naphthalen-2-yl-boron
CID 20596918
2,2-dimethylpropane;naphthalene
CID 91188461
anthracene;benzene;naphthalene
CID 142706236
ethane;naphthalene
CID 144512894
naphthalene-2-carboxylic acid
CID 175967775
2-methylnaphthalene chloride
CID 21193556
benzene;2-methylnaphthalene
CID 159438891
naphthalene
CID 10240860

Frequently Asked Questions

What is the IUPAC name of 2-dinaphthalen-2-ylarsorylnaphthalene?
The IUPAC name of 2-dinaphthalen-2-ylarsorylnaphthalene (CID 177401201) is 2-dinaphthalen-2-ylarsorylnaphthalene.
What is the SMILES notation for 2-dinaphthalen-2-ylarsorylnaphthalene?
The canonical SMILES for 2-dinaphthalen-2-ylarsorylnaphthalene is O=[As](c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of 2-dinaphthalen-2-ylarsorylnaphthalene?
The InChIKey is OBQYWIVAQPLEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21AsO/c32-31(28-16-13-22-7-1-4-10-25(22)19-28,29-17-14-23-8-2-5-11-26(23)20-29)30-18-15-24-9-3-6-12-27(24)21-30/h1-21H.
What are the key properties of 2-dinaphthalen-2-ylarsorylnaphthalene?
2-dinaphthalen-2-ylarsorylnaphthalene has a molecular weight of 472.42 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dinaphthalen-2-ylarsorylnaphthalene is sourced from PubChem (CID 177401201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).