2-(3,7-dimethylnaphthalen-1-yl)-1,4-dimethylanthracene

C28H24 — CID 123151676

IUPAC2-(3,7-dimethylnaphthalen-1-yl)-1,4-dimethylanthracene
SMILESCc1cc(-c2cc(C)c3cc4ccccc4cc3c2C)c2cc(C)ccc2c1
InChIInChI=1S/C28H24/c1-17-9-10-23-11-18(2)13-28(27(23)12-17)25-14-19(3)24-15-21-7-5-6-8-22(21)16-26(24)20(25)4/h5-16H,1-4H3
InChIKeyOEXVWKGTJZLTOF-UHFFFAOYSA-N
MW360.50 g/mol
LogP8.05
Rot. Bonds1

About 2-(3,7-dimethylnaphthalen-1-yl)-1,4-dimethylanthracene

2-(3,7-dimethylnaphthalen-1-yl)-1,4-dimethylanthracene (PubChem CID 123151676) has the molecular formula C28H24 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-(3,7-dimethylnaphthalen-1-yl)-1,4-dimethylanthracene.

Molecular Properties

Compound Name2-(3,7-dimethylnaphthalen-1-yl)-1,4-dimethylanthracene
PubChem CID123151676
Molecular FormulaC28H24
Molecular Weight360.50 g/mol
Exact Mass360.19
IUPAC Name2-(3,7-dimethylnaphthalen-1-yl)-1,4-dimethylanthracene
SMILESCc1cc(-c2cc(C)c3cc4ccccc4cc3c2C)c2cc(C)ccc2c1
InChIInChI=1S/C28H24/c1-17-9-10-23-11-18(2)13-28(27(23)12-17)25-14-19(3)24-15-21-7-5-6-8-22(21)16-26(24)20(25)4/h5-16H,1-4H3
InChIKeyOEXVWKGTJZLTOF-UHFFFAOYSA-N
XLogP8.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 58.05
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

10-(2,4-dimethylphenyl)-1,3-dimethylanthracene
CID 44551760
2,6-dimethylnaphthalene;2-methylnaphthalene
CID 158480305
9-methylanthracene;2-methylnaphthalene
CID 159699144
2,9-dimethylnaphtho[1,2-b]phenanthrene;3,10-dimethylnaphtho[1,2-b]phenanthrene
CID 164992833
2-methylnaphthalene;1,2-xylene
CID 142041411
1,3-dimethylphenanthrene;1,5-dimethylphenanthrene;1,7-dimethylphenanthrene
CID 160604246
2,6-dimethylanthracene;bis(2,9-dimethylanthracene);bis(2,10-dimethylanthracene)
CID 159448602
2-methylnaphthalene chloride
CID 21193556
2-methylnaphthalene;dihydrate
CID 174912803
benzene;2-methylnaphthalene
CID 159438891
1,6-dimethylanthracene;ethane
CID 142009331
1,3,5,10-tetramethylanthracene
CID 163863681

Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethylnaphthalen-1-yl)-1,4-dimethylanthracene?
The IUPAC name of 2-(3,7-dimethylnaphthalen-1-yl)-1,4-dimethylanthracene (CID 123151676) is 2-(3,7-dimethylnaphthalen-1-yl)-1,4-dimethylanthracene.
What is the SMILES notation for 2-(3,7-dimethylnaphthalen-1-yl)-1,4-dimethylanthracene?
The canonical SMILES for 2-(3,7-dimethylnaphthalen-1-yl)-1,4-dimethylanthracene is Cc1cc(-c2cc(C)c3cc4ccccc4cc3c2C)c2cc(C)ccc2c1.
What is the InChIKey of 2-(3,7-dimethylnaphthalen-1-yl)-1,4-dimethylanthracene?
The InChIKey is OEXVWKGTJZLTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24/c1-17-9-10-23-11-18(2)13-28(27(23)12-17)25-14-19(3)24-15-21-7-5-6-8-22(21)16-26(24)20(25)4/h5-16H,1-4H3.
What are the key properties of 2-(3,7-dimethylnaphthalen-1-yl)-1,4-dimethylanthracene?
2-(3,7-dimethylnaphthalen-1-yl)-1,4-dimethylanthracene has a molecular weight of 360.50 g/mol, XLogP of 8.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethylnaphthalen-1-yl)-1,4-dimethylanthracene is sourced from PubChem (CID 123151676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).