8,9-dimethyl-11H-benzo[a]fluorene;2,3-dimethyl-11H-benzo[b]fluorene;9,10-dimethyl-7H-benzo[c]fluorene;8,9-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]fluorene;ethane

C92H116 — CID 159294979

About 8,9-dimethyl-11H-benzo[a]fluorene;2,3-dimethyl-11H-benzo[b]fluorene;9,10-dimethyl-7H-benzo[c]fluorene;8,9-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]fluorene;ethane

8,9-dimethyl-11H-benzo[a]fluorene;2,3-dimethyl-11H-benzo[b]fluorene;9,10-dimethyl-7H-benzo[c]fluorene;8,9-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]fluorene;ethane (PubChem CID 159294979) has the molecular formula C92H116 and a molecular weight of 1221.94 g/mol. Its IUPAC name is 8,9-dimethyl-11H-benzo[a]fluorene;2,3-dimethyl-11H-benzo[b]fluorene;9,10-dimethyl-7H-benzo[c]fluorene;8,9-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]fluorene;ethane.

Molecular Properties

• Compound Name: 8,9-dimethyl-11H-benzo[a]fluorene;2,3-dimethyl-11H-benzo[b]fluorene;9,10-dimethyl-7H-benzo[c]fluorene;8,9-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]fluorene;ethane
• PubChem CID: 159294979
• Molecular Formula: C92H116
• Molecular Weight: 1221.94 g/mol
• Exact Mass: 1220.91
• IUPAC Name: 8,9-dimethyl-11H-benzo[a]fluorene;2,3-dimethyl-11H-benzo[b]fluorene;9,10-dimethyl-7H-benzo[c]fluorene;8,9-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]fluorene;ethane
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2c(cc1C)-c1c(ccc3ccccc13)C2.Cc1cc2c(cc1C)-c1cc3ccccc3cc1C2.Cc1cc2c(cc1C)-c1ccc3c(c1C2)CCCC3.Cc1cc2c(cc1C)-c1ccc3ccccc3c1C2
• InChI: InChI=1S/C19H16.C19H20.2C19H16.8C2H6/c1-12-7-16-10-17-9-14-5-3-4-6-15(14)11-19(17)18(16)8-13(12)2;2*1-12-9-15-11-19-16-6-4-3-5-14(16)7-8-17(19)18(15)10-13(12)2;1-12-9-16-11-15-8-7-14-5-3-4-6-17(14)19(15)18(16)10-13(12)2;8*1-2/h3-9,11H,10H2,1-2H3;7-10H,3-6,11H2,1-2H3;2*3-10H,11H2,1-2H3;8*1-2H3
• InChIKey: LAPDUWRBURKPBR-UHFFFAOYSA-N
• XLogP: 28.05
• TPSA: 0.00 Ų
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1221.94
LogP ≤ 5	28.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethyl-11H-benzo[a]fluorene;2,3-dimethyl-11H-benzo[b]fluorene;9,10-dimethyl-7H-benzo[c]fluorene;8,9-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]fluorene;ethane?

The IUPAC name of 8,9-dimethyl-11H-benzo[a]fluorene;2,3-dimethyl-11H-benzo[b]fluorene;9,10-dimethyl-7H-benzo[c]fluorene;8,9-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]fluorene;ethane (CID 159294979) is 8,9-dimethyl-11H-benzo[a]fluorene;2,3-dimethyl-11H-benzo[b]fluorene;9,10-dimethyl-7H-benzo[c]fluorene;8,9-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]fluorene;ethane.

What is the SMILES notation for 8,9-dimethyl-11H-benzo[a]fluorene;2,3-dimethyl-11H-benzo[b]fluorene;9,10-dimethyl-7H-benzo[c]fluorene;8,9-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]fluorene;ethane?

The canonical SMILES for 8,9-dimethyl-11H-benzo[a]fluorene;2,3-dimethyl-11H-benzo[b]fluorene;9,10-dimethyl-7H-benzo[c]fluorene;8,9-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]fluorene;ethane is CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2c(cc1C)-c1c(ccc3ccccc13)C2.Cc1cc2c(cc1C)-c1cc3ccccc3cc1C2.Cc1cc2c(cc1C)-c1ccc3c(c1C2)CCCC3.Cc1cc2c(cc1C)-c1ccc3ccccc3c1C2.

What is the InChIKey of 8,9-dimethyl-11H-benzo[a]fluorene;2,3-dimethyl-11H-benzo[b]fluorene;9,10-dimethyl-7H-benzo[c]fluorene;8,9-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]fluorene;ethane?

The InChIKey is LAPDUWRBURKPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16.C19H20.2C19H16.8C2H6/c1-12-7-16-10-17-9-14-5-3-4-6-15(14)11-19(17)18(16)8-13(12)2;2*1-12-9-15-11-19-16-6-4-3-5-14(16)7-8-17(19)18(15)10-13(12)2;1-12-9-16-11-15-8-7-14-5-3-4-6-17(14)19(15)18(16)10-13(12)2;8*1-2/h3-9,11H,10H2,1-2H3;7-10H,3-6,11H2,1-2H3;2*3-10H,11H2,1-2H3;8*1-2H3.

What are the key properties of 8,9-dimethyl-11H-benzo[a]fluorene;2,3-dimethyl-11H-benzo[b]fluorene;9,10-dimethyl-7H-benzo[c]fluorene;8,9-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]fluorene;ethane?

8,9-dimethyl-11H-benzo[a]fluorene;2,3-dimethyl-11H-benzo[b]fluorene;9,10-dimethyl-7H-benzo[c]fluorene;8,9-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]fluorene;ethane has a molecular weight of 1221.94 g/mol, XLogP of 28.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 8,9-dimethyl-11H-benzo[a]fluorene;2,3-dimethyl-11H-benzo[b]fluorene;9,10-dimethyl-7H-benzo[c]fluorene;8,9-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]fluorene;ethane is sourced from PubChem (CID 159294979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).