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

C26H20 — CID 140780842

IUPAC2-methyl-6-(6-methylnaphthalen-2-yl)anthracene
SMILESCc1ccc2cc(-c3ccc4cc5cc(C)ccc5cc4c3)ccc2c1
InChIInChI=1S/C26H20/c1-17-3-5-20-13-21(8-7-19(20)11-17)22-9-10-24-15-25-12-18(2)4-6-23(25)16-26(24)14-22/h3-16H,1-2H3
InChIKeyXISHUMLAJKAOBS-UHFFFAOYSA-N
MW332.45 g/mol
LogP7.43
Rot. Bonds1

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

2-methyl-6-(6-methylnaphthalen-2-yl)anthracene (PubChem CID 140780842) has the molecular formula C26H20 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-methyl-6-(6-methylnaphthalen-2-yl)anthracene.

Molecular Properties

Compound Name2-methyl-6-(6-methylnaphthalen-2-yl)anthracene
PubChem CID140780842
Molecular FormulaC26H20
Molecular Weight332.45 g/mol
Exact Mass332.16
IUPAC Name2-methyl-6-(6-methylnaphthalen-2-yl)anthracene
SMILESCc1ccc2cc(-c3ccc4cc5cc(C)ccc5cc4c3)ccc2c1
InChIInChI=1S/C26H20/c1-17-3-5-20-13-21(8-7-19(20)11-17)22-9-10-24-15-25-12-18(2)4-6-23(25)16-26(24)14-22/h3-16H,1-2H3
InChIKeyXISHUMLAJKAOBS-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'}

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Related Compounds

2,9-dimethylpentacene
CID 11460950
2-methyl-6-[3-(6-methylnaphthalen-2-yl)phenyl]naphthalene
CID 58943209
2-methyl-6-[2-[4-(6-methylnaphthalen-2-yl)phenyl]ethyl]anthracene
CID 145465634
methane;2-methyl-6-phenylnaphthalene
CID 144703390
2-(4-methoxyphenyl)-6-methylnaphthalene
CID 15099897
2,6-dimethylnaphthalene;propane
CID 142191183
2-methoxy-6-[6-[6-(6-methylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalene
CID 58556071
7,20-bis(4-methylphenyl)hexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2,4(9),5,7,10,12,15,17(22),18,20,23,25-tridecaene
CID 58411439
N-methyl-4-(6-methylnaphthalen-2-yl)aniline
CID 116962530
2-methylanthracene;2-methylnaphthalene;1-methyl-4-phenylbenzene;toluene
CID 161098980
2-methyl-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 162565704
2-methyl-6-(4-methylnaphthalen-1-yl)anthracene
CID 123178820

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(6-methylnaphthalen-2-yl)anthracene?
The IUPAC name of 2-methyl-6-(6-methylnaphthalen-2-yl)anthracene (CID 140780842) is 2-methyl-6-(6-methylnaphthalen-2-yl)anthracene.
What is the SMILES notation for 2-methyl-6-(6-methylnaphthalen-2-yl)anthracene?
The canonical SMILES for 2-methyl-6-(6-methylnaphthalen-2-yl)anthracene is Cc1ccc2cc(-c3ccc4cc5cc(C)ccc5cc4c3)ccc2c1.
What is the InChIKey of 2-methyl-6-(6-methylnaphthalen-2-yl)anthracene?
The InChIKey is XISHUMLAJKAOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20/c1-17-3-5-20-13-21(8-7-19(20)11-17)22-9-10-24-15-25-12-18(2)4-6-23(25)16-26(24)14-22/h3-16H,1-2H3.
What are the key properties of 2-methyl-6-(6-methylnaphthalen-2-yl)anthracene?
2-methyl-6-(6-methylnaphthalen-2-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-(6-methylnaphthalen-2-yl)anthracene is sourced from PubChem (CID 140780842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).