3-bromo-5-methyl-1H-isoindole;3-bromo-5-methyl-1-tritylindazole;tetrakis(carbon dioxide);4-[4-(6-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine

C94H80Br2N10O10 — CID 158961063

About 3-bromo-5-methyl-1H-isoindole;3-bromo-5-methyl-1-tritylindazole;tetrakis(carbon dioxide);4-[4-(6-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine

3-bromo-5-methyl-1H-isoindole;3-bromo-5-methyl-1-tritylindazole;tetrakis(carbon dioxide);4-[4-(6-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine (PubChem CID 158961063) has the molecular formula C94H80Br2N10O10 and a molecular weight of 1669.54 g/mol. Its IUPAC name is 3-bromo-5-methyl-1H-isoindole;3-bromo-5-methyl-1-tritylindazole;tetrakis(carbon dioxide);4-[4-(6-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine.

Molecular Properties

• Compound Name: 3-bromo-5-methyl-1H-isoindole;3-bromo-5-methyl-1-tritylindazole;tetrakis(carbon dioxide);4-[4-(6-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine
• PubChem CID: 158961063
• Molecular Formula: C94H80Br2N10O10
• Molecular Weight: 1669.54 g/mol
• Exact Mass: 1666.44
• IUPAC Name: 3-bromo-5-methyl-1H-isoindole;3-bromo-5-methyl-1-tritylindazole;tetrakis(carbon dioxide);4-[4-(6-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine
• SMILES: Cc1ccc2c(c1)C(Br)=NC2.Cc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.Cc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.Cc1ccc2c(c1)c(Br)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.O=C=O.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C36H32N4O.C27H21BrN2.C18H19N3O.C9H8BrN.4CO2/c1-27-17-18-33-32(25-27)35(28-19-20-37-34(26-28)39-21-23-41-24-22-39)38-40(33)36(29-11-5-2-6-12-29,30-13-7-3-8-14-30)31-15-9-4-10-16-31;1-20-17-18-25-24(19-20)26(28)29-30(25)27(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23;1-13-2-3-15-12-20-18(16(15)10-13)14-4-5-19-17(11-14)21-6-8-22-9-7-21;1-6-2-3-7-5-11-9(10)8(7)4-6;4*2-1-3/h2-20,25-26H,21-24H2,1H3;2-19H,1H3;2-5,10-11H,6-9,12H2,1H3;2-4H,5H2,1H3
• InChIKey: JMPZRFNYNIJWDG-UHFFFAOYSA-N
• XLogP: 16.92
• TPSA: 247.64 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1669.54
LogP ≤ 5	16.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-1H-isoindole;3-bromo-5-methyl-1-tritylindazole;tetrakis(carbon dioxide);4-[4-(6-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine?

The IUPAC name of 3-bromo-5-methyl-1H-isoindole;3-bromo-5-methyl-1-tritylindazole;tetrakis(carbon dioxide);4-[4-(6-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine (CID 158961063) is 3-bromo-5-methyl-1H-isoindole;3-bromo-5-methyl-1-tritylindazole;tetrakis(carbon dioxide);4-[4-(6-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine.

What is the SMILES notation for 3-bromo-5-methyl-1H-isoindole;3-bromo-5-methyl-1-tritylindazole;tetrakis(carbon dioxide);4-[4-(6-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine?

The canonical SMILES for 3-bromo-5-methyl-1H-isoindole;3-bromo-5-methyl-1-tritylindazole;tetrakis(carbon dioxide);4-[4-(6-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine is Cc1ccc2c(c1)C(Br)=NC2.Cc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.Cc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.Cc1ccc2c(c1)c(Br)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.O=C=O.O=C=O.O=C=O.O=C=O.

What is the InChIKey of 3-bromo-5-methyl-1H-isoindole;3-bromo-5-methyl-1-tritylindazole;tetrakis(carbon dioxide);4-[4-(6-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine?

The InChIKey is JMPZRFNYNIJWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N4O.C27H21BrN2.C18H19N3O.C9H8BrN.4CO2/c1-27-17-18-33-32(25-27)35(28-19-20-37-34(26-28)39-21-23-41-24-22-39)38-40(33)36(29-11-5-2-6-12-29,30-13-7-3-8-14-30)31-15-9-4-10-16-31;1-20-17-18-25-24(19-20)26(28)29-30(25)27(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23;1-13-2-3-15-12-20-18(16(15)10-13)14-4-5-19-17(11-14)21-6-8-22-9-7-21;1-6-2-3-7-5-11-9(10)8(7)4-6;4*2-1-3/h2-20,25-26H,21-24H2,1H3;2-19H,1H3;2-5,10-11H,6-9,12H2,1H3;2-4H,5H2,1H3;;;;.

What are the key properties of 3-bromo-5-methyl-1H-isoindole;3-bromo-5-methyl-1-tritylindazole;tetrakis(carbon dioxide);4-[4-(6-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine?

3-bromo-5-methyl-1H-isoindole;3-bromo-5-methyl-1-tritylindazole;tetrakis(carbon dioxide);4-[4-(6-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine has a molecular weight of 1669.54 g/mol, XLogP of 16.92, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-methyl-1H-isoindole;3-bromo-5-methyl-1-tritylindazole;tetrakis(carbon dioxide);4-[4-(6-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 158961063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).