2,3-dimethyl-6-[(6-methylnaphthalen-2-yl)methyl]naphthalene

C24H22 — CID 142943343

IUPAC2,3-dimethyl-6-[(6-methylnaphthalen-2-yl)methyl]naphthalene
SMILESCc1ccc2cc(Cc3ccc4cc(C)c(C)cc4c3)ccc2c1
InChIInChI=1S/C24H22/c1-16-4-7-23-14-19(5-8-21(23)10-16)13-20-6-9-22-11-17(2)18(3)12-24(22)15-20/h4-12,14-15H,13H2,1-3H3
InChIKeyCAQLBOYYFAIMNT-UHFFFAOYSA-N
MW310.44 g/mol
LogP6.51
Rot. Bonds2

About 2,3-dimethyl-6-[(6-methylnaphthalen-2-yl)methyl]naphthalene

2,3-dimethyl-6-[(6-methylnaphthalen-2-yl)methyl]naphthalene (PubChem CID 142943343) has the molecular formula C24H22 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2,3-dimethyl-6-[(6-methylnaphthalen-2-yl)methyl]naphthalene.

Molecular Properties

Compound Name2,3-dimethyl-6-[(6-methylnaphthalen-2-yl)methyl]naphthalene
PubChem CID142943343
Molecular FormulaC24H22
Molecular Weight310.44 g/mol
Exact Mass310.17
IUPAC Name2,3-dimethyl-6-[(6-methylnaphthalen-2-yl)methyl]naphthalene
SMILESCc1ccc2cc(Cc3ccc4cc(C)c(C)cc4c3)ccc2c1
InChIInChI=1S/C24H22/c1-16-4-7-23-14-19(5-8-21(23)10-16)13-20-6-9-22-11-17(2)18(3)12-24(22)15-20/h4-12,14-15H,13H2,1-3H3
InChIKeyCAQLBOYYFAIMNT-UHFFFAOYSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-[(6-methylnaphthalen-2-yl)methyl]naphthalene?
The IUPAC name of 2,3-dimethyl-6-[(6-methylnaphthalen-2-yl)methyl]naphthalene (CID 142943343) is 2,3-dimethyl-6-[(6-methylnaphthalen-2-yl)methyl]naphthalene.
What is the SMILES notation for 2,3-dimethyl-6-[(6-methylnaphthalen-2-yl)methyl]naphthalene?
The canonical SMILES for 2,3-dimethyl-6-[(6-methylnaphthalen-2-yl)methyl]naphthalene is Cc1ccc2cc(Cc3ccc4cc(C)c(C)cc4c3)ccc2c1.
What is the InChIKey of 2,3-dimethyl-6-[(6-methylnaphthalen-2-yl)methyl]naphthalene?
The InChIKey is CAQLBOYYFAIMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22/c1-16-4-7-23-14-19(5-8-21(23)10-16)13-20-6-9-22-11-17(2)18(3)12-24(22)15-20/h4-12,14-15H,13H2,1-3H3.
What are the key properties of 2,3-dimethyl-6-[(6-methylnaphthalen-2-yl)methyl]naphthalene?
2,3-dimethyl-6-[(6-methylnaphthalen-2-yl)methyl]naphthalene has a molecular weight of 310.44 g/mol, XLogP of 6.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-[(6-methylnaphthalen-2-yl)methyl]naphthalene is sourced from PubChem (CID 142943343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).