1,3,5,10-tetramethylanthracene

C18H18 — CID 163863681

IUPAC1,3,5,10-tetramethylanthracene
SMILESCc1cc(C)c2cc3cccc(C)c3c(C)c2c1
InChIInChI=1S/C18H18/c1-11-8-13(3)16-10-15-7-5-6-12(2)18(15)14(4)17(16)9-11/h5-10H,1-4H3
InChIKeyWDVRBVBRJPGSBD-UHFFFAOYSA-N
MW234.34 g/mol
LogP5.23
Rot. Bonds

About 1,3,5,10-tetramethylanthracene

1,3,5,10-tetramethylanthracene (PubChem CID 163863681) has the molecular formula C18H18 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1,3,5,10-tetramethylanthracene.

Molecular Properties

Compound Name1,3,5,10-tetramethylanthracene
PubChem CID163863681
Molecular FormulaC18H18
Molecular Weight234.34 g/mol
Exact Mass234.14
IUPAC Name1,3,5,10-tetramethylanthracene
SMILESCc1cc(C)c2cc3cccc(C)c3c(C)c2c1
InChIInChI=1S/C18H18/c1-11-8-13(3)16-10-15-7-5-6-12(2)18(15)14(4)17(16)9-11/h5-10H,1-4H3
InChIKeyWDVRBVBRJPGSBD-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.34
LogP ≤ 55.23
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

1,8-dimethylnaphthalene;bis(1,3,6,8-tetramethylnaphthalene)
CID 159825938
2,9,10-trimethylperylene
CID 58193405
1,2,4,6,8-pentamethylnaphthalene
CID 59866689
4,10-dimethylpyrene
CID 91667650
2-(3,7-dimethylnaphthalen-1-yl)-1,4-dimethylanthracene
CID 123151676
1,3-dimethylphenanthrene;1,5-dimethylphenanthrene;1,7-dimethylphenanthrene
CID 160604246
10-(2,4-dimethylphenyl)-1,3-dimethylanthracene
CID 44551760
1,3-dimethylnaphthalene;ethane
CID 145447624
4-methyloctacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6(30),7,9,11(27),12,14(28),15,17,19(29),20,22,24-pentadecaene
CID 101455015
1,3,10-trimethylphenanthrene
CID 12996190
1,8-dimethylnaphthalene;ethane
CID 91447117
2-methylperylene;3-methylperylene
CID 157412879

Frequently Asked Questions

What is the IUPAC name of 1,3,5,10-tetramethylanthracene?
The IUPAC name of 1,3,5,10-tetramethylanthracene (CID 163863681) is 1,3,5,10-tetramethylanthracene.
What is the SMILES notation for 1,3,5,10-tetramethylanthracene?
The canonical SMILES for 1,3,5,10-tetramethylanthracene is Cc1cc(C)c2cc3cccc(C)c3c(C)c2c1.
What is the InChIKey of 1,3,5,10-tetramethylanthracene?
The InChIKey is WDVRBVBRJPGSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18/c1-11-8-13(3)16-10-15-7-5-6-12(2)18(15)14(4)17(16)9-11/h5-10H,1-4H3.
What are the key properties of 1,3,5,10-tetramethylanthracene?
1,3,5,10-tetramethylanthracene has a molecular weight of 234.34 g/mol, XLogP of 5.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,10-tetramethylanthracene is sourced from PubChem (CID 163863681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).