2-methyl-6-(4-methylnaphthalen-1-yl)anthracene

C26H20 — CID 123178820

IUPAC2-methyl-6-(4-methylnaphthalen-1-yl)anthracene
SMILESCc1ccc2cc3cc(-c4ccc(C)c5ccccc45)ccc3cc2c1
InChIInChI=1S/C26H20/c1-17-7-9-19-15-23-16-21(11-10-20(23)14-22(19)13-17)25-12-8-18(2)24-5-3-4-6-26(24)25/h3-16H,1-2H3
InChIKeyIVMFTYQJXDNLNN-UHFFFAOYSA-N
MW332.45 g/mol
LogP7.43
Rot. Bonds1

About 2-methyl-6-(4-methylnaphthalen-1-yl)anthracene

2-methyl-6-(4-methylnaphthalen-1-yl)anthracene (PubChem CID 123178820) has the molecular formula C26H20 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-methyl-6-(4-methylnaphthalen-1-yl)anthracene.

Molecular Properties

Compound Name2-methyl-6-(4-methylnaphthalen-1-yl)anthracene
PubChem CID123178820
Molecular FormulaC26H20
Molecular Weight332.45 g/mol
Exact Mass332.16
IUPAC Name2-methyl-6-(4-methylnaphthalen-1-yl)anthracene
SMILESCc1ccc2cc3cc(-c4ccc(C)c5ccccc45)ccc3cc2c1
InChIInChI=1S/C26H20/c1-17-7-9-19-15-23-16-21(11-10-20(23)14-22(19)13-17)25-12-8-18(2)24-5-3-4-6-26(24)25/h3-16H,1-2H3
InChIKeyIVMFTYQJXDNLNN-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-methyl-6-(4-methylnaphthalen-1-yl)anthracene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-[4-[4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalene
CID 59169275
2-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene
CID 158886123
1,5-bis(4-methylnaphthalen-1-yl)naphthalene;1,5-bis(6-methylnaphthalen-2-yl)naphthalene;1-(3-ethenyl-4-methylphenyl)-5-(4-methylnaphthalen-1-yl)naphthalene
CID 159364327
1-(6-iodonaphthalen-2-yl)-4-methylnaphthalene
CID 70994486
1-methyl-4-[4-(4-methylphenyl)naphthalen-1-yl]naphthalene
CID 123804574
2,6-dimethylanthracene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1,3-xylene;1,4-xylene
CID 157392918
2,6-dimethylanthracene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1,2-xylene;1,3-xylene;1,4-xylene
CID 162072402
1-methyl-4-phenylnaphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;6-methyl-1-phenylnaphthalene
CID 160584062
9-methylphenanthrene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;2-methyl-6-phenylnaphthalene
CID 157493896
1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene
CID 162103415
2-methyl-6-(6-methylnaphthalen-2-yl)anthracene
CID 140780842
2-(2,5-dimethylphenyl)naphthalene
CID 59648717

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylnaphthalen-1-yl)anthracene?
The IUPAC name of 2-methyl-6-(4-methylnaphthalen-1-yl)anthracene (CID 123178820) is 2-methyl-6-(4-methylnaphthalen-1-yl)anthracene.
What is the SMILES notation for 2-methyl-6-(4-methylnaphthalen-1-yl)anthracene?
The canonical SMILES for 2-methyl-6-(4-methylnaphthalen-1-yl)anthracene is Cc1ccc2cc3cc(-c4ccc(C)c5ccccc45)ccc3cc2c1.
What is the InChIKey of 2-methyl-6-(4-methylnaphthalen-1-yl)anthracene?
The InChIKey is IVMFTYQJXDNLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20/c1-17-7-9-19-15-23-16-21(11-10-20(23)14-22(19)13-17)25-12-8-18(2)24-5-3-4-6-26(24)25/h3-16H,1-2H3.
What are the key properties of 2-methyl-6-(4-methylnaphthalen-1-yl)anthracene?
2-methyl-6-(4-methylnaphthalen-1-yl)anthracene has a molecular weight of 332.45 g/mol, XLogP of 7.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylnaphthalen-1-yl)anthracene is sourced from PubChem (CID 123178820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).