bis(7,12-dihydroindeno[1,2-a]fluorene);bis(11,12-dihydroindeno[2,1-a]fluorene);bis(10,12-dihydroindeno[2,1-b]fluorene);ethane

C168H228 — CID 160769436

About bis(7,12-dihydroindeno[1,2-a]fluorene);bis(11,12-dihydroindeno[2,1-a]fluorene);bis(10,12-dihydroindeno[2,1-b]fluorene);ethane

bis(7,12-dihydroindeno[1,2-a]fluorene);bis(11,12-dihydroindeno[2,1-a]fluorene);bis(10,12-dihydroindeno[2,1-b]fluorene);ethane (PubChem CID 160769436) has the molecular formula C168H228 and a molecular weight of 2247.67 g/mol. Its IUPAC name is bis(7,12-dihydroindeno[1,2-a]fluorene);bis(11,12-dihydroindeno[2,1-a]fluorene);bis(10,12-dihydroindeno[2,1-b]fluorene);ethane.

Molecular Properties

• Compound Name: bis(7,12-dihydroindeno[1,2-a]fluorene);bis(11,12-dihydroindeno[2,1-a]fluorene);bis(10,12-dihydroindeno[2,1-b]fluorene);ethane
• PubChem CID: 160769436
• Molecular Formula: C168H228
• Molecular Weight: 2247.67 g/mol
• Exact Mass: 2245.78
• IUPAC Name: bis(7,12-dihydroindeno[1,2-a]fluorene);bis(11,12-dihydroindeno[2,1-a]fluorene);bis(10,12-dihydroindeno[2,1-b]fluorene);ethane
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)Cc1c-2ccc2c1-c1ccccc1C2.c1ccc2c(c1)Cc1c-2ccc2c1-c1ccccc1C2.c1ccc2c(c1)Cc1c-2ccc2c1Cc1ccccc1-2.c1ccc2c(c1)Cc1c-2ccc2c1Cc1ccccc1-2.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1ccccc1C3.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1ccccc1C3
• InChI: InChI=1S/6C20H14.24C2H6/c2*1-3-7-16-14(6-1)12-19-18(16)10-9-15-11-13-5-2-4-8-17(13)20(15)19;2*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;2*1-3-7-15-13(5-1)11-19-17(15)9-10-18-16-8-4-2-6-14(16)12-20(18)19;24*1-2/h2*1-10H,11-12H2;2*1-8,11-12H,9-10H2;2*1-10H,11-12H2;24*1-2H3
• InChIKey: RZCRQAPDIIAJJO-UHFFFAOYSA-N
• XLogP: 53.60
• TPSA: 0.00 Ų
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2247.67
LogP ≤ 5	53.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of bis(7,12-dihydroindeno[1,2-a]fluorene);bis(11,12-dihydroindeno[2,1-a]fluorene);bis(10,12-dihydroindeno[2,1-b]fluorene);ethane?

The IUPAC name of bis(7,12-dihydroindeno[1,2-a]fluorene);bis(11,12-dihydroindeno[2,1-a]fluorene);bis(10,12-dihydroindeno[2,1-b]fluorene);ethane (CID 160769436) is bis(7,12-dihydroindeno[1,2-a]fluorene);bis(11,12-dihydroindeno[2,1-a]fluorene);bis(10,12-dihydroindeno[2,1-b]fluorene);ethane.

What is the SMILES notation for bis(7,12-dihydroindeno[1,2-a]fluorene);bis(11,12-dihydroindeno[2,1-a]fluorene);bis(10,12-dihydroindeno[2,1-b]fluorene);ethane?

The canonical SMILES for bis(7,12-dihydroindeno[1,2-a]fluorene);bis(11,12-dihydroindeno[2,1-a]fluorene);bis(10,12-dihydroindeno[2,1-b]fluorene);ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)Cc1c-2ccc2c1-c1ccccc1C2.c1ccc2c(c1)Cc1c-2ccc2c1-c1ccccc1C2.c1ccc2c(c1)Cc1c-2ccc2c1Cc1ccccc1-2.c1ccc2c(c1)Cc1c-2ccc2c1Cc1ccccc1-2.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1ccccc1C3.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1ccccc1C3.

What is the InChIKey of bis(7,12-dihydroindeno[1,2-a]fluorene);bis(11,12-dihydroindeno[2,1-a]fluorene);bis(10,12-dihydroindeno[2,1-b]fluorene);ethane?

The InChIKey is RZCRQAPDIIAJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/6C20H14.24C2H6/c2*1-3-7-16-14(6-1)12-19-18(16)10-9-15-11-13-5-2-4-8-17(13)20(15)19;2*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;2*1-3-7-15-13(5-1)11-19-17(15)9-10-18-16-8-4-2-6-14(16)12-20(18)19;24*1-2/h2*1-10H,11-12H2;2*1-8,11-12H,9-10H2;2*1-10H,11-12H2;24*1-2H3.

What are the key properties of bis(7,12-dihydroindeno[1,2-a]fluorene);bis(11,12-dihydroindeno[2,1-a]fluorene);bis(10,12-dihydroindeno[2,1-b]fluorene);ethane?

bis(7,12-dihydroindeno[1,2-a]fluorene);bis(11,12-dihydroindeno[2,1-a]fluorene);bis(10,12-dihydroindeno[2,1-b]fluorene);ethane has a molecular weight of 2247.67 g/mol, XLogP of 53.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for bis(7,12-dihydroindeno[1,2-a]fluorene);bis(11,12-dihydroindeno[2,1-a]fluorene);bis(10,12-dihydroindeno[2,1-b]fluorene);ethane is sourced from PubChem (CID 160769436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).