11a,12-dihydroindeno[1,2-c]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;methane

C61H46 — CID 159210224

About 11a,12-dihydroindeno[1,2-c]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;methane

11a,12-dihydroindeno[1,2-c]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;methane (PubChem CID 159210224) has the molecular formula C61H46 and a molecular weight of 779.04 g/mol. Its IUPAC name is 11a,12-dihydroindeno[1,2-c]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;methane.

Molecular Properties

• Compound Name: 11a,12-dihydroindeno[1,2-c]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;methane
• PubChem CID: 159210224
• Molecular Formula: C61H46
• Molecular Weight: 779.04 g/mol
• Exact Mass: 778.36
• IUPAC Name: 11a,12-dihydroindeno[1,2-c]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;methane
• SMILES: C.C1=CC2=Cc3ccc4c(c3C2C=C1)Cc1ccccc1-4.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1ccccc1C3.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccccc1-3
• InChI: InChI=1S/3C20H14.CH4/c1-3-7-16-14(6-1)12-19-18(16)10-9-15-11-13-5-2-4-8-17(13)20(15)19;1-3-7-17-13(5-1)9-15-11-20-16(12-19(15)17)10-14-6-2-4-8-18(14)20;1-3-7-17-13(5-1)9-15-11-16-10-14-6-2-4-8-18(14)20(16)12-19(15)17;/h1-11,17H,12H2;2*1-8,11-12H,9-10H2;1H4
• InChIKey: KQKCCOVDGFIYDR-UHFFFAOYSA-N
• XLogP: 15.16
• TPSA: 0.00 Ų
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.04
LogP ≤ 5	15.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 11a,12-dihydroindeno[1,2-c]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;methane?

The IUPAC name of 11a,12-dihydroindeno[1,2-c]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;methane (CID 159210224) is 11a,12-dihydroindeno[1,2-c]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;methane.

What is the SMILES notation for 11a,12-dihydroindeno[1,2-c]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;methane?

The canonical SMILES for 11a,12-dihydroindeno[1,2-c]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;methane is C.C1=CC2=Cc3ccc4c(c3C2C=C1)Cc1ccccc1-4.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1ccccc1C3.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccccc1-3.

What is the InChIKey of 11a,12-dihydroindeno[1,2-c]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;methane?

The InChIKey is KQKCCOVDGFIYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H14.CH4/c1-3-7-16-14(6-1)12-19-18(16)10-9-15-11-13-5-2-4-8-17(13)20(15)19;1-3-7-17-13(5-1)9-15-11-20-16(12-19(15)17)10-14-6-2-4-8-18(14)20;1-3-7-17-13(5-1)9-15-11-16-10-14-6-2-4-8-18(14)20(16)12-19(15)17;/h1-11,17H,12H2;2*1-8,11-12H,9-10H2;1H4.

What are the key properties of 11a,12-dihydroindeno[1,2-c]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;methane?

11a,12-dihydroindeno[1,2-c]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;methane has a molecular weight of 779.04 g/mol, XLogP of 15.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 11a,12-dihydroindeno[1,2-c]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;methane is sourced from PubChem (CID 159210224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).