2-methyl-2-(2-methylacenaphthylen-1-yl)acenaphthylen-1-one

C26H18O — CID 10783791

IUPAC2-methyl-2-(2-methylacenaphthylen-1-yl)acenaphthylen-1-one
SMILESCC1=C(C2(C)C(=O)c3cccc4cccc2c34)c2cccc3cccc1c23
InChIInChI=1S/C26H18O/c1-15-18-11-3-7-16-8-4-12-19(22(16)18)24(15)26(2)21-14-6-10-17-9-5-13-20(23(17)21)25(26)27/h3-14H,1-2H3
InChIKeyFLSRIGVFICPXQW-UHFFFAOYSA-N
MW346.43 g/mol
LogP6.39
Rot. Bonds1

About 2-methyl-2-(2-methylacenaphthylen-1-yl)acenaphthylen-1-one

2-methyl-2-(2-methylacenaphthylen-1-yl)acenaphthylen-1-one (PubChem CID 10783791) has the molecular formula C26H18O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-methyl-2-(2-methylacenaphthylen-1-yl)acenaphthylen-1-one.

Molecular Properties

Compound Name2-methyl-2-(2-methylacenaphthylen-1-yl)acenaphthylen-1-one
PubChem CID10783791
Molecular FormulaC26H18O
Molecular Weight346.43 g/mol
Exact Mass346.14
IUPAC Name2-methyl-2-(2-methylacenaphthylen-1-yl)acenaphthylen-1-one
SMILESCC1=C(C2(C)C(=O)c3cccc4cccc2c34)c2cccc3cccc1c23
InChIInChI=1S/C26H18O/c1-15-18-11-3-7-16-8-4-12-19(22(16)18)24(15)26(2)21-14-6-10-17-9-5-13-20(23(17)21)25(26)27/h3-14H,1-2H3
InChIKeyFLSRIGVFICPXQW-UHFFFAOYSA-N
XLogP6.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylacenaphthylen-1-yl)acenaphthylen-1-one?
The IUPAC name of 2-methyl-2-(2-methylacenaphthylen-1-yl)acenaphthylen-1-one (CID 10783791) is 2-methyl-2-(2-methylacenaphthylen-1-yl)acenaphthylen-1-one.
What is the SMILES notation for 2-methyl-2-(2-methylacenaphthylen-1-yl)acenaphthylen-1-one?
The canonical SMILES for 2-methyl-2-(2-methylacenaphthylen-1-yl)acenaphthylen-1-one is CC1=C(C2(C)C(=O)c3cccc4cccc2c34)c2cccc3cccc1c23.
What is the InChIKey of 2-methyl-2-(2-methylacenaphthylen-1-yl)acenaphthylen-1-one?
The InChIKey is FLSRIGVFICPXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O/c1-15-18-11-3-7-16-8-4-12-19(22(16)18)24(15)26(2)21-14-6-10-17-9-5-13-20(23(17)21)25(26)27/h3-14H,1-2H3.
What are the key properties of 2-methyl-2-(2-methylacenaphthylen-1-yl)acenaphthylen-1-one?
2-methyl-2-(2-methylacenaphthylen-1-yl)acenaphthylen-1-one has a molecular weight of 346.43 g/mol, XLogP of 6.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylacenaphthylen-1-yl)acenaphthylen-1-one is sourced from PubChem (CID 10783791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).