2,6-dimethyl-4a,9a-dihydroanthracene-9,10-dione;2,6-dimethylanthracene;3,7-dimethyldibenzothiophene;2,7-dimethyl-9H-fluorene;bis(2,6-dimethyl-1H-indene);bis(2,6-dimethylnaphthalene);2,5-dimethylpentalene;bis(2,6-dimethylquinazoline);bis(2,6-dimethylquinoline);3,7-dimethylquinoline;ethane;methane

C242H395N7O2S — CID 159807965

About 2,6-dimethyl-4a,9a-dihydroanthracene-9,10-dione;2,6-dimethylanthracene;3,7-dimethyldibenzothiophene;2,7-dimethyl-9H-fluorene;bis(2,6-dimethyl-1H-indene);bis(2,6-dimethylnaphthalene);2,5-dimethylpentalene;bis(2,6-dimethylquinazoline);bis(2,6-dimethylquinoline);3,7-dimethylquinoline;ethane;methane

2,6-dimethyl-4a,9a-dihydroanthracene-9,10-dione;2,6-dimethylanthracene;3,7-dimethyldibenzothiophene;2,7-dimethyl-9H-fluorene;bis(2,6-dimethyl-1H-indene);bis(2,6-dimethylnaphthalene);2,5-dimethylpentalene;bis(2,6-dimethylquinazoline);bis(2,6-dimethylquinoline);3,7-dimethylquinoline;ethane;methane (PubChem CID 159807965) has the molecular formula C242H395N7O2S and a molecular weight of 3466.94 g/mol. Its IUPAC name is 2,6-dimethyl-4a,9a-dihydroanthracene-9,10-dione;2,6-dimethylanthracene;3,7-dimethyldibenzothiophene;2,7-dimethyl-9H-fluorene;bis(2,6-dimethyl-1H-indene);bis(2,6-dimethylnaphthalene);2,5-dimethylpentalene;bis(2,6-dimethylquinazoline);bis(2,6-dimethylquinoline);3,7-dimethylquinoline;ethane;methane.

Molecular Properties

• Compound Name: 2,6-dimethyl-4a,9a-dihydroanthracene-9,10-dione;2,6-dimethylanthracene;3,7-dimethyldibenzothiophene;2,7-dimethyl-9H-fluorene;bis(2,6-dimethyl-1H-indene);bis(2,6-dimethylnaphthalene);2,5-dimethylpentalene;bis(2,6-dimethylquinazoline);bis(2,6-dimethylquinoline);3,7-dimethylquinoline;ethane;methane
• PubChem CID: 159807965
• Molecular Formula: C242H395N7O2S
• Molecular Weight: 3466.94 g/mol
• Exact Mass: 3464.07
• IUPAC Name: 2,6-dimethyl-4a,9a-dihydroanthracene-9,10-dione;2,6-dimethylanthracene;3,7-dimethyldibenzothiophene;2,7-dimethyl-9H-fluorene;bis(2,6-dimethyl-1H-indene);bis(2,6-dimethylnaphthalene);2,5-dimethylpentalene;bis(2,6-dimethylquinazoline);bis(2,6-dimethylquinoline);3,7-dimethylquinoline;ethane;methane
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CC2=CC(C)=CC2=C1.CC1=CC2C(=O)c3ccc(C)cc3C(=O)C2C=C1.CC1=Cc2ccc(C)cc2C1.CC1=Cc2ccc(C)cc2C1.Cc1ccc2c(c1)Cc1cc(C)ccc1-2.Cc1ccc2c(c1)sc1cc(C)ccc12.Cc1ccc2cc(C)ccc2c1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2cc3cc(C)ccc3cc2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2nc(C)ncc2c1.Cc1ccc2nc(C)ncc2c1.Cc1cnc2cc(C)ccc2c1
• InChI: InChI=1S/C16H14O2.C16H14.C15H14.C14H12S.2C12H12.3C11H11N.2C11H12.2C10H10N2.C10H10.29C2H6.14CH4/c1-9-3-5-11-13(7-9)15(17)12-6-4-10(2)8-14(12)16(11)18;1-11-3-5-13-10-16-8-12(2)4-6-14(16)9-15(13)7-11;1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9;2*1-9-3-5-12-8-10(2)4-6-11(12)7-9;2*1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-8-3-4-10-5-9(2)7-12-11(10)6-8;2*1-8-3-4-10-6-9(2)7-11(10)5-8;2*1-7-3-4-10-9(5-7)6-11-8(2)12-10;1-7-3-9-5-8(2)6-10(9)4-7;29*1-2;;;;;;;;;;;;;;/h3-8,11,13H,1-2H3;3-10H,1-2H3;3-8H,9H2,1-2H3;3-8H,1-2H3;2*3-8H,1-2H3;3*3-7H,1-2H3;2*3-6H,7H2,1-2H3;2*3-6H,1-2H3;3-6H,1-2H3;29*1-2H3;14*1H4
• InChIKey: NKQKDQJAPNMZIT-UHFFFAOYSA-N
• XLogP: 83.57
• TPSA: 124.37 Ų
• H-Bond Acceptors: 10
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3466.94
LogP ≤ 5	83.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4a,9a-dihydroanthracene-9,10-dione;2,6-dimethylanthracene;3,7-dimethyldibenzothiophene;2,7-dimethyl-9H-fluorene;bis(2,6-dimethyl-1H-indene);bis(2,6-dimethylnaphthalene);2,5-dimethylpentalene;bis(2,6-dimethylquinazoline);bis(2,6-dimethylquinoline);3,7-dimethylquinoline;ethane;methane?

The IUPAC name of 2,6-dimethyl-4a,9a-dihydroanthracene-9,10-dione;2,6-dimethylanthracene;3,7-dimethyldibenzothiophene;2,7-dimethyl-9H-fluorene;bis(2,6-dimethyl-1H-indene);bis(2,6-dimethylnaphthalene);2,5-dimethylpentalene;bis(2,6-dimethylquinazoline);bis(2,6-dimethylquinoline);3,7-dimethylquinoline;ethane;methane (CID 159807965) is 2,6-dimethyl-4a,9a-dihydroanthracene-9,10-dione;2,6-dimethylanthracene;3,7-dimethyldibenzothiophene;2,7-dimethyl-9H-fluorene;bis(2,6-dimethyl-1H-indene);bis(2,6-dimethylnaphthalene);2,5-dimethylpentalene;bis(2,6-dimethylquinazoline);bis(2,6-dimethylquinoline);3,7-dimethylquinoline;ethane;methane.

What is the SMILES notation for 2,6-dimethyl-4a,9a-dihydroanthracene-9,10-dione;2,6-dimethylanthracene;3,7-dimethyldibenzothiophene;2,7-dimethyl-9H-fluorene;bis(2,6-dimethyl-1H-indene);bis(2,6-dimethylnaphthalene);2,5-dimethylpentalene;bis(2,6-dimethylquinazoline);bis(2,6-dimethylquinoline);3,7-dimethylquinoline;ethane;methane?

The canonical SMILES for 2,6-dimethyl-4a,9a-dihydroanthracene-9,10-dione;2,6-dimethylanthracene;3,7-dimethyldibenzothiophene;2,7-dimethyl-9H-fluorene;bis(2,6-dimethyl-1H-indene);bis(2,6-dimethylnaphthalene);2,5-dimethylpentalene;bis(2,6-dimethylquinazoline);bis(2,6-dimethylquinoline);3,7-dimethylquinoline;ethane;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CC2=CC(C)=CC2=C1.CC1=CC2C(=O)c3ccc(C)cc3C(=O)C2C=C1.CC1=Cc2ccc(C)cc2C1.CC1=Cc2ccc(C)cc2C1.Cc1ccc2c(c1)Cc1cc(C)ccc1-2.Cc1ccc2c(c1)sc1cc(C)ccc12.Cc1ccc2cc(C)ccc2c1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2cc3cc(C)ccc3cc2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2nc(C)ncc2c1.Cc1ccc2nc(C)ncc2c1.Cc1cnc2cc(C)ccc2c1.

What is the InChIKey of 2,6-dimethyl-4a,9a-dihydroanthracene-9,10-dione;2,6-dimethylanthracene;3,7-dimethyldibenzothiophene;2,7-dimethyl-9H-fluorene;bis(2,6-dimethyl-1H-indene);bis(2,6-dimethylnaphthalene);2,5-dimethylpentalene;bis(2,6-dimethylquinazoline);bis(2,6-dimethylquinoline);3,7-dimethylquinoline;ethane;methane?

The InChIKey is NKQKDQJAPNMZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2.C16H14.C15H14.C14H12S.2C12H12.3C11H11N.2C11H12.2C10H10N2.C10H10.29C2H6.14CH4/c1-9-3-5-11-13(7-9)15(17)12-6-4-10(2)8-14(12)16(11)18;1-11-3-5-13-10-16-8-12(2)4-6-14(16)9-15(13)7-11;1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9;2*1-9-3-5-12-8-10(2)4-6-11(12)7-9;2*1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-8-3-4-10-5-9(2)7-12-11(10)6-8;2*1-8-3-4-10-6-9(2)7-11(10)5-8;2*1-7-3-4-10-9(5-7)6-11-8(2)12-10;1-7-3-9-5-8(2)6-10(9)4-7;29*1-2;;;;;;;;;;;;;;/h3-8,11,13H,1-2H3;3-10H,1-2H3;3-8H,9H2,1-2H3;3-8H,1-2H3;2*3-8H,1-2H3;3*3-7H,1-2H3;2*3-6H,7H2,1-2H3;2*3-6H,1-2H3;3-6H,1-2H3;29*1-2H3;14*1H4.

What are the key properties of 2,6-dimethyl-4a,9a-dihydroanthracene-9,10-dione;2,6-dimethylanthracene;3,7-dimethyldibenzothiophene;2,7-dimethyl-9H-fluorene;bis(2,6-dimethyl-1H-indene);bis(2,6-dimethylnaphthalene);2,5-dimethylpentalene;bis(2,6-dimethylquinazoline);bis(2,6-dimethylquinoline);3,7-dimethylquinoline;ethane;methane?

2,6-dimethyl-4a,9a-dihydroanthracene-9,10-dione;2,6-dimethylanthracene;3,7-dimethyldibenzothiophene;2,7-dimethyl-9H-fluorene;bis(2,6-dimethyl-1H-indene);bis(2,6-dimethylnaphthalene);2,5-dimethylpentalene;bis(2,6-dimethylquinazoline);bis(2,6-dimethylquinoline);3,7-dimethylquinoline;ethane;methane has a molecular weight of 3466.94 g/mol, XLogP of 83.57, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dimethyl-4a,9a-dihydroanthracene-9,10-dione;2,6-dimethylanthracene;3,7-dimethyldibenzothiophene;2,7-dimethyl-9H-fluorene;bis(2,6-dimethyl-1H-indene);bis(2,6-dimethylnaphthalene);2,5-dimethylpentalene;bis(2,6-dimethylquinazoline);bis(2,6-dimethylquinoline);3,7-dimethylquinoline;ethane;methane is sourced from PubChem (CID 159807965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).