2-methylidene-1-naphthalen-1-yl-1H-naphthalene

C21H16 — CID 100956887

IUPAC2-methylidene-1-naphthalen-1-yl-1H-naphthalene
SMILESC=C1C=Cc2ccccc2C1c1cccc2ccccc12
InChIInChI=1S/C21H16/c1-15-13-14-17-8-3-5-11-19(17)21(15)20-12-6-9-16-7-2-4-10-18(16)20/h2-14,21H,1H2
InChIKeyGWTFYECFSVQQIH-UHFFFAOYSA-N
MW268.36 g/mol
LogP5.55
Rot. Bonds1

About 2-methylidene-1-naphthalen-1-yl-1H-naphthalene

2-methylidene-1-naphthalen-1-yl-1H-naphthalene (PubChem CID 100956887) has the molecular formula C21H16 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-methylidene-1-naphthalen-1-yl-1H-naphthalene.

Molecular Properties

Compound Name2-methylidene-1-naphthalen-1-yl-1H-naphthalene
PubChem CID100956887
Molecular FormulaC21H16
Molecular Weight268.36 g/mol
Exact Mass268.13
IUPAC Name2-methylidene-1-naphthalen-1-yl-1H-naphthalene
SMILESC=C1C=Cc2ccccc2C1c1cccc2ccccc12
InChIInChI=1S/C21H16/c1-15-13-14-17-8-3-5-11-19(17)21(15)20-12-6-9-16-7-2-4-10-18(16)20/h2-14,21H,1H2
InChIKeyGWTFYECFSVQQIH-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.36
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2-naphthalen-1-ylcyclopropan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1-naphthalen-1-yl-1H-naphthalene?
The IUPAC name of 2-methylidene-1-naphthalen-1-yl-1H-naphthalene (CID 100956887) is 2-methylidene-1-naphthalen-1-yl-1H-naphthalene.
What is the SMILES notation for 2-methylidene-1-naphthalen-1-yl-1H-naphthalene?
The canonical SMILES for 2-methylidene-1-naphthalen-1-yl-1H-naphthalene is C=C1C=Cc2ccccc2C1c1cccc2ccccc12.
What is the InChIKey of 2-methylidene-1-naphthalen-1-yl-1H-naphthalene?
The InChIKey is GWTFYECFSVQQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16/c1-15-13-14-17-8-3-5-11-19(17)21(15)20-12-6-9-16-7-2-4-10-18(16)20/h2-14,21H,1H2.
What are the key properties of 2-methylidene-1-naphthalen-1-yl-1H-naphthalene?
2-methylidene-1-naphthalen-1-yl-1H-naphthalene has a molecular weight of 268.36 g/mol, XLogP of 5.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1-naphthalen-1-yl-1H-naphthalene is sourced from PubChem (CID 100956887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).