Acetic acid;1-bromo-4-fluorobenzene;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;1-[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]ethanone;bis(1-(1H-indol-5-yl)ethanone);methane

C₆₀H₅₆BrF₃N₄O₇ — CID 158978597

About Acetic acid;1-bromo-4-fluorobenzene;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;1-[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]ethanone;bis(1-(1H-indol-5-yl)ethanone);methane

Acetic acid;1-bromo-4-fluorobenzene;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;1-[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]ethanone;bis(1-(1H-indol-5-yl)ethanone);methane (PubChem CID 158978597) has the molecular formula C₆₀H₅₆BrF₃N₄O₇ and a molecular weight of 1082.03 g/mol. Its IUPAC name is acetic acid;1-bromo-4-fluorobenzene;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;1-[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]ethanone;bis(1-(1H-indol-5-yl)ethanone);methane.

Molecular Properties

• Compound Name: Acetic acid;1-bromo-4-fluorobenzene;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;1-[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]ethanone;bis(1-(1H-indol-5-yl)ethanone);methane
• PubChem CID: 158978597
• Molecular Formula: C₆₀H₅₆BrF₃N₄O₇
• Molecular Weight: 1082.03 g/mol
• Exact Mass: 1080.33
• IUPAC Name: acetic acid;1-bromo-4-fluorobenzene;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;1-[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]ethanone;bis(1-(1H-indol-5-yl)ethanone);methane
• SMILES: C.CC(=O)O.CC(=O)c1ccc2[nH]ccc2c1.CC(=O)c1ccc2[nH]ccc2c1.CC(=O)c1ccc2c(c1)CCN2c1ccc(F)cc1.Fc1ccc(Br)cc1.O=C(O)c1ccc2c(c1)CCN2c1ccc(F)cc1
• InChI: InChI=1S/C16H14FNO.C15H12FNO2.2C10H9NO.C6H4BrF.C2H4O2.CH4/c1-11(19)12-2-7-16-13(10-12)8-9-18(16)15-5-3-14(17)4-6-15;16-12-2-4-13(5-3-12)17-8-7-10-9-11(15(18)19)1-6-14(10)17;2*1-7(12)8-2-3-10-9(6-8)4-5-11-10;7-5-1-3-6(8)4-2-5;1-2(3)4;/h2-7,10H,8-9H2,1H3;1-6,9H,7-8H2,(H,18,19);2*2-6,11H,1H3;1-4H;1H3,(H,3,4);1H4
• InChIKey: IYAKJWJSYGKROV-UHFFFAOYSA-N
• XLogP: 15.00
• TPSA: 163.87 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1082.03
LogP ≤ 5	15.00
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of Acetic acid;1-bromo-4-fluorobenzene;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;1-[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]ethanone;bis(1-(1H-indol-5-yl)ethanone);methane?

The IUPAC name of Acetic acid;1-bromo-4-fluorobenzene;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;1-[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]ethanone;bis(1-(1H-indol-5-yl)ethanone);methane (CID 158978597) is acetic acid;1-bromo-4-fluorobenzene;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;1-[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]ethanone;bis(1-(1H-indol-5-yl)ethanone);methane.

What is the SMILES notation for Acetic acid;1-bromo-4-fluorobenzene;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;1-[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]ethanone;bis(1-(1H-indol-5-yl)ethanone);methane?

The canonical SMILES for Acetic acid;1-bromo-4-fluorobenzene;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;1-[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]ethanone;bis(1-(1H-indol-5-yl)ethanone);methane is C.CC(=O)O.CC(=O)c1ccc2[nH]ccc2c1.CC(=O)c1ccc2[nH]ccc2c1.CC(=O)c1ccc2c(c1)CCN2c1ccc(F)cc1.Fc1ccc(Br)cc1.O=C(O)c1ccc2c(c1)CCN2c1ccc(F)cc1.

What is the InChIKey of Acetic acid;1-bromo-4-fluorobenzene;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;1-[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]ethanone;bis(1-(1H-indol-5-yl)ethanone);methane?

The InChIKey is IYAKJWJSYGKROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO.C15H12FNO2.2C10H9NO.C6H4BrF.C2H4O2.CH4/c1-11(19)12-2-7-16-13(10-12)8-9-18(16)15-5-3-14(17)4-6-15;16-12-2-4-13(5-3-12)17-8-7-10-9-11(15(18)19)1-6-14(10)17;2*1-7(12)8-2-3-10-9(6-8)4-5-11-10;7-5-1-3-6(8)4-2-5;1-2(3)4;/h2-7,10H,8-9H2,1H3;1-6,9H,7-8H2,(H,18,19);2*2-6,11H,1H3;1-4H;1H3,(H,3,4);1H4.

What are the key properties of Acetic acid;1-bromo-4-fluorobenzene;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;1-[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]ethanone;bis(1-(1H-indol-5-yl)ethanone);methane?

Acetic acid;1-bromo-4-fluorobenzene;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;1-[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]ethanone;bis(1-(1H-indol-5-yl)ethanone);methane has a molecular weight of 1082.03 g/mol, XLogP of 15.00, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Acetic acid;1-bromo-4-fluorobenzene;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;1-[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]ethanone;bis(1-(1H-indol-5-yl)ethanone);methane is sourced from PubChem (CID 158978597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158978597 — identifiers, structure, computed properties (public domain)

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