2,3-dimethylacridine;2,3-dimethyl-10H-acridin-9-one;2,3-dimethylanthracene;2,3-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;3,4-dimethylpyridine;2,3-dimethylthiophene;ethane;1,2-xylene

C110H150N4O2S — CID 158411820

IUPAC2,3-dimethylacridine;2,3-dimethyl-10H-acridin-9-one;2,3-dimethylanthracene;2,3-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;3,4-dimethylpyridine;2,3-dimethylthiophene;ethane;1,2-xylene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2[nH]c3ccccc3c(=O)c2cc1C.Cc1cc2cc3ccccc3cc2cc1C.Cc1cc2cc3ccccc3nc2cc1C.Cc1cc2ccccc2cc1C.Cc1ccccc1C.Cc1cccnc1C.Cc1ccncc1C.Cc1ccoc1C.Cc1ccsc1C
InChIInChI=1S/C16H14.C15H13NO.C15H13N.C12H12.C8H10.2C7H9N.C6H8O.C6H8S.9C2H6/c1-11-7-15-9-13-5-3-4-6-14(13)10-16(15)8-12(11)2;1-9-7-12-14(8-10(9)2)16-13-6-4-3-5-11(13)15(12)17;1-10-7-13-9-12-5-3-4-6-14(12)16-15(13)8-11(10)2;1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-7-5-3-4-6-8(7)2;1-6-3-4-8-5-7(6)2;1-6-4-3-5-8-7(6)2;2*1-5-3-4-7-6(5)2;9*1-2/h3-10H,1-2H3;3-8H,1-2H3,(H,16,17);3-9H,1-2H3;3-8H,1-2H3;3-6H,1-2H3;2*3-5H,1-2H3;2*3-4H,1-2H3;9*1-2H3
InChIKeyGZKHWNHLWDVYRW-UHFFFAOYSA-N
MW1592.50 g/mol
LogP34.57
Rot. Bonds

About 2,3-dimethylacridine;2,3-dimethyl-10H-acridin-9-one;2,3-dimethylanthracene;2,3-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;3,4-dimethylpyridine;2,3-dimethylthiophene;ethane;1,2-xylene

2,3-dimethylacridine;2,3-dimethyl-10H-acridin-9-one;2,3-dimethylanthracene;2,3-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;3,4-dimethylpyridine;2,3-dimethylthiophene;ethane;1,2-xylene (PubChem CID 158411820) has the molecular formula C110H150N4O2S and a molecular weight of 1592.50 g/mol. Its IUPAC name is 2,3-dimethylacridine;2,3-dimethyl-10H-acridin-9-one;2,3-dimethylanthracene;2,3-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;3,4-dimethylpyridine;2,3-dimethylthiophene;ethane;1,2-xylene.

Molecular Properties

Compound Name2,3-dimethylacridine;2,3-dimethyl-10H-acridin-9-one;2,3-dimethylanthracene;2,3-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;3,4-dimethylpyridine;2,3-dimethylthiophene;ethane;1,2-xylene
PubChem CID158411820
Molecular FormulaC110H150N4O2S
Molecular Weight1592.50 g/mol
Exact Mass1591.15
IUPAC Name2,3-dimethylacridine;2,3-dimethyl-10H-acridin-9-one;2,3-dimethylanthracene;2,3-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;3,4-dimethylpyridine;2,3-dimethylthiophene;ethane;1,2-xylene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2[nH]c3ccccc3c(=O)c2cc1C.Cc1cc2cc3ccccc3cc2cc1C.Cc1cc2cc3ccccc3nc2cc1C.Cc1cc2ccccc2cc1C.Cc1ccccc1C.Cc1cccnc1C.Cc1ccncc1C.Cc1ccoc1C.Cc1ccsc1C
InChIInChI=1S/C16H14.C15H13NO.C15H13N.C12H12.C8H10.2C7H9N.C6H8O.C6H8S.9C2H6/c1-11-7-15-9-13-5-3-4-6-14(13)10-16(15)8-12(11)2;1-9-7-12-14(8-10(9)2)16-13-6-4-3-5-11(13)15(12)17;1-10-7-13-9-12-5-3-4-6-14(12)16-15(13)8-11(10)2;1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-7-5-3-4-6-8(7)2;1-6-3-4-8-5-7(6)2;1-6-4-3-5-8-7(6)2;2*1-5-3-4-7-6(5)2;9*1-2/h3-10H,1-2H3;3-8H,1-2H3,(H,16,17);3-9H,1-2H3;3-8H,1-2H3;3-6H,1-2H3;2*3-5H,1-2H3;2*3-4H,1-2H3;9*1-2H3
InChIKeyGZKHWNHLWDVYRW-UHFFFAOYSA-N
XLogP34.57
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001592.50
LogP ≤ 534.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,3-dimethylacridine;2,3-dimethyl-10H-acridin-9-one;2,3-dimethylanthracene;2,3-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;3,4-dimethylpyridine;2,3-dimethylthiophene;ethane;1,2-xylene with MolForge

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Related Compounds

4,5-dimethyl-1,2-oxazole;2,3-dimethylpyrazine;tris(4,5-dimethyl-1H-pyrazole);2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;1,2-xylene
CID 158163068
5,6-dimethylbicyclo[2.2.1]hept-2-ene;2,3-dimethylfuran;3,4-dimethylfuran;1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;2,3-dimethylpyrazine;2,3-dimethylthiophene;3,4-dimethylthiophene;2-methylpyridine;2,3,4-trimethylpyridine;1,2-xylene
CID 159502849
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane
CID 90939428
3,4-dimethylisoquinoline;1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;2,3-dimethylpyridine;bis(4,5-dimethylpyrimidine);2,3-dimethylquinoline
CID 158410042
(Z)-but-2-ene;5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;1,2-dimethylcyclobutane;1,2-dimethylcycloheptene;1,2-dimethylcyclohexane;1,2-dimethylcyclopentane;1,2-dimethylcyclopentene;1,2-dimethylcyclopropane;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;3,4-dimethyl-2,5-dihydrofuran;2,3-dimethylfuran;4,5-dimethyl-1H-imidazole;2,3-dimethylindazole;1,2-dimethylindole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;2,3-dimethyl-5-phenylthiophene;2,3-dimethylpyrazine;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2-xylene
CID 161377365
4,5-dimethyl-1,2-oxazole;2,3-dimethylpyrazine;tris(4,5-dimethyl-1H-pyrazole);2,3-dimethylpyridine;3,4-dimethylpyridine;bis(4,5-dimethyl-1,3-thiazole);1,2-xylene
CID 162258350
10H-acridin-9-one;ethane
CID 91525380
ethane;6H-pyrido[4,3-b]carbazole
CID 142896724
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane;methanesulfonate;methylsulfonylmethane;yttrium
CID 160914916
3-hydroxy-2-methyl-1H-quinolin-4-one;quinoline
CID 170553291
3,4-dimethylpyridine;1,2-xylene
CID 158871716
10H-acridin-9-one;2-methylquinoline;naphthalene-2-sulfonic acid
CID 174407426

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylacridine;2,3-dimethyl-10H-acridin-9-one;2,3-dimethylanthracene;2,3-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;3,4-dimethylpyridine;2,3-dimethylthiophene;ethane;1,2-xylene?
The IUPAC name of 2,3-dimethylacridine;2,3-dimethyl-10H-acridin-9-one;2,3-dimethylanthracene;2,3-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;3,4-dimethylpyridine;2,3-dimethylthiophene;ethane;1,2-xylene (CID 158411820) is 2,3-dimethylacridine;2,3-dimethyl-10H-acridin-9-one;2,3-dimethylanthracene;2,3-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;3,4-dimethylpyridine;2,3-dimethylthiophene;ethane;1,2-xylene.
What is the SMILES notation for 2,3-dimethylacridine;2,3-dimethyl-10H-acridin-9-one;2,3-dimethylanthracene;2,3-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;3,4-dimethylpyridine;2,3-dimethylthiophene;ethane;1,2-xylene?
The canonical SMILES for 2,3-dimethylacridine;2,3-dimethyl-10H-acridin-9-one;2,3-dimethylanthracene;2,3-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;3,4-dimethylpyridine;2,3-dimethylthiophene;ethane;1,2-xylene is CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2[nH]c3ccccc3c(=O)c2cc1C.Cc1cc2cc3ccccc3cc2cc1C.Cc1cc2cc3ccccc3nc2cc1C.Cc1cc2ccccc2cc1C.Cc1ccccc1C.Cc1cccnc1C.Cc1ccncc1C.Cc1ccoc1C.Cc1ccsc1C.
What is the InChIKey of 2,3-dimethylacridine;2,3-dimethyl-10H-acridin-9-one;2,3-dimethylanthracene;2,3-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;3,4-dimethylpyridine;2,3-dimethylthiophene;ethane;1,2-xylene?
The InChIKey is GZKHWNHLWDVYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14.C15H13NO.C15H13N.C12H12.C8H10.2C7H9N.C6H8O.C6H8S.9C2H6/c1-11-7-15-9-13-5-3-4-6-14(13)10-16(15)8-12(11)2;1-9-7-12-14(8-10(9)2)16-13-6-4-3-5-11(13)15(12)17;1-10-7-13-9-12-5-3-4-6-14(12)16-15(13)8-11(10)2;1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-7-5-3-4-6-8(7)2;1-6-3-4-8-5-7(6)2;1-6-4-3-5-8-7(6)2;2*1-5-3-4-7-6(5)2;9*1-2/h3-10H,1-2H3;3-8H,1-2H3,(H,16,17);3-9H,1-2H3;3-8H,1-2H3;3-6H,1-2H3;2*3-5H,1-2H3;2*3-4H,1-2H3;9*1-2H3.
What are the key properties of 2,3-dimethylacridine;2,3-dimethyl-10H-acridin-9-one;2,3-dimethylanthracene;2,3-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;3,4-dimethylpyridine;2,3-dimethylthiophene;ethane;1,2-xylene?
2,3-dimethylacridine;2,3-dimethyl-10H-acridin-9-one;2,3-dimethylanthracene;2,3-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;3,4-dimethylpyridine;2,3-dimethylthiophene;ethane;1,2-xylene has a molecular weight of 1592.50 g/mol, XLogP of 34.57, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylacridine;2,3-dimethyl-10H-acridin-9-one;2,3-dimethylanthracene;2,3-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;3,4-dimethylpyridine;2,3-dimethylthiophene;ethane;1,2-xylene is sourced from PubChem (CID 158411820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).