(1-benzylindol-6-yl)methanamine;3-[2-[[(1-benzylindol-6-yl)methylamino]methyl]-6-fluoro-1H-indol-3-yl]-5-hydroxy-2,3-dihydroisoindol-1-one;6-fluoro-3-(6-hydroxy-3-oxo-1,2-dihydroisoindol-1-yl)-1H-indole-2-carbaldehyde

C66H54F2N8O5 — CID 165038770

About (1-benzylindol-6-yl)methanamine;3-[2-[[(1-benzylindol-6-yl)methylamino]methyl]-6-fluoro-1H-indol-3-yl]-5-hydroxy-2,3-dihydroisoindol-1-one;6-fluoro-3-(6-hydroxy-3-oxo-1,2-dihydroisoindol-1-yl)-1H-indole-2-carbaldehyde

(1-benzylindol-6-yl)methanamine;3-[2-[[(1-benzylindol-6-yl)methylamino]methyl]-6-fluoro-1H-indol-3-yl]-5-hydroxy-2,3-dihydroisoindol-1-one;6-fluoro-3-(6-hydroxy-3-oxo-1,2-dihydroisoindol-1-yl)-1H-indole-2-carbaldehyde (PubChem CID 165038770) has the molecular formula C66H54F2N8O5 and a molecular weight of 1077.20 g/mol. Its IUPAC name is (1-benzylindol-6-yl)methanamine;3-[2-[[(1-benzylindol-6-yl)methylamino]methyl]-6-fluoro-1H-indol-3-yl]-5-hydroxy-2,3-dihydroisoindol-1-one;6-fluoro-3-(6-hydroxy-3-oxo-1,2-dihydroisoindol-1-yl)-1H-indole-2-carbaldehyde.

Molecular Properties

• Compound Name: (1-benzylindol-6-yl)methanamine;3-[2-[[(1-benzylindol-6-yl)methylamino]methyl]-6-fluoro-1H-indol-3-yl]-5-hydroxy-2,3-dihydroisoindol-1-one;6-fluoro-3-(6-hydroxy-3-oxo-1,2-dihydroisoindol-1-yl)-1H-indole-2-carbaldehyde
• PubChem CID: 165038770
• Molecular Formula: C66H54F2N8O5
• Molecular Weight: 1077.20 g/mol
• Exact Mass: 1076.42
• IUPAC Name: (1-benzylindol-6-yl)methanamine;3-[2-[[(1-benzylindol-6-yl)methylamino]methyl]-6-fluoro-1H-indol-3-yl]-5-hydroxy-2,3-dihydroisoindol-1-one;6-fluoro-3-(6-hydroxy-3-oxo-1,2-dihydroisoindol-1-yl)-1H-indole-2-carbaldehyde
• SMILES: NCc1ccc2ccn(Cc3ccccc3)c2c1.O=C1NC(c2c(CNCc3ccc4ccn(Cc5ccccc5)c4c3)[nH]c3cc(F)ccc23)c2cc(O)ccc21.O=Cc1[nH]c2cc(F)ccc2c1C1NC(=O)c2ccc(O)cc21
• InChI: InChI=1S/C33H27FN4O2.C17H11FN2O3.C16H16N2/c34-23-8-10-26-28(15-23)36-29(31(26)32-27-16-24(39)9-11-25(27)33(40)37-32)18-35-17-21-6-7-22-12-13-38(30(22)14-21)19-20-4-2-1-3-5-20;18-8-1-3-11-13(5-8)19-14(7-21)15(11)16-12-6-9(22)2-4-10(12)17(23)20-16;17-11-14-6-7-15-8-9-18(16(15)10-14)12-13-4-2-1-3-5-13/h1-16,32,35-36,39H,17-19H2,(H,37,40);1-7,16,19,22H,(H,20,23);1-10H,11-12,17H2
• InChIKey: NUJQVZFNTSERTE-UHFFFAOYSA-N
• XLogP: 11.94
• TPSA: 195.22 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1077.20
LogP ≤ 5	11.94
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1-benzylindol-6-yl)methanamine;3-[2-[[(1-benzylindol-6-yl)methylamino]methyl]-6-fluoro-1H-indol-3-yl]-5-hydroxy-2,3-dihydroisoindol-1-one;6-fluoro-3-(6-hydroxy-3-oxo-1,2-dihydroisoindol-1-yl)-1H-indole-2-carbaldehyde?

The IUPAC name of (1-benzylindol-6-yl)methanamine;3-[2-[[(1-benzylindol-6-yl)methylamino]methyl]-6-fluoro-1H-indol-3-yl]-5-hydroxy-2,3-dihydroisoindol-1-one;6-fluoro-3-(6-hydroxy-3-oxo-1,2-dihydroisoindol-1-yl)-1H-indole-2-carbaldehyde (CID 165038770) is (1-benzylindol-6-yl)methanamine;3-[2-[[(1-benzylindol-6-yl)methylamino]methyl]-6-fluoro-1H-indol-3-yl]-5-hydroxy-2,3-dihydroisoindol-1-one;6-fluoro-3-(6-hydroxy-3-oxo-1,2-dihydroisoindol-1-yl)-1H-indole-2-carbaldehyde.

What is the SMILES notation for (1-benzylindol-6-yl)methanamine;3-[2-[[(1-benzylindol-6-yl)methylamino]methyl]-6-fluoro-1H-indol-3-yl]-5-hydroxy-2,3-dihydroisoindol-1-one;6-fluoro-3-(6-hydroxy-3-oxo-1,2-dihydroisoindol-1-yl)-1H-indole-2-carbaldehyde?

The canonical SMILES for (1-benzylindol-6-yl)methanamine;3-[2-[[(1-benzylindol-6-yl)methylamino]methyl]-6-fluoro-1H-indol-3-yl]-5-hydroxy-2,3-dihydroisoindol-1-one;6-fluoro-3-(6-hydroxy-3-oxo-1,2-dihydroisoindol-1-yl)-1H-indole-2-carbaldehyde is NCc1ccc2ccn(Cc3ccccc3)c2c1.O=C1NC(c2c(CNCc3ccc4ccn(Cc5ccccc5)c4c3)[nH]c3cc(F)ccc23)c2cc(O)ccc21.O=Cc1[nH]c2cc(F)ccc2c1C1NC(=O)c2ccc(O)cc21.

What is the InChIKey of (1-benzylindol-6-yl)methanamine;3-[2-[[(1-benzylindol-6-yl)methylamino]methyl]-6-fluoro-1H-indol-3-yl]-5-hydroxy-2,3-dihydroisoindol-1-one;6-fluoro-3-(6-hydroxy-3-oxo-1,2-dihydroisoindol-1-yl)-1H-indole-2-carbaldehyde?

The InChIKey is NUJQVZFNTSERTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27FN4O2.C17H11FN2O3.C16H16N2/c34-23-8-10-26-28(15-23)36-29(31(26)32-27-16-24(39)9-11-25(27)33(40)37-32)18-35-17-21-6-7-22-12-13-38(30(22)14-21)19-20-4-2-1-3-5-20;18-8-1-3-11-13(5-8)19-14(7-21)15(11)16-12-6-9(22)2-4-10(12)17(23)20-16;17-11-14-6-7-15-8-9-18(16(15)10-14)12-13-4-2-1-3-5-13/h1-16,32,35-36,39H,17-19H2,(H,37,40);1-7,16,19,22H,(H,20,23);1-10H,11-12,17H2.

What are the key properties of (1-benzylindol-6-yl)methanamine;3-[2-[[(1-benzylindol-6-yl)methylamino]methyl]-6-fluoro-1H-indol-3-yl]-5-hydroxy-2,3-dihydroisoindol-1-one;6-fluoro-3-(6-hydroxy-3-oxo-1,2-dihydroisoindol-1-yl)-1H-indole-2-carbaldehyde?

(1-benzylindol-6-yl)methanamine;3-[2-[[(1-benzylindol-6-yl)methylamino]methyl]-6-fluoro-1H-indol-3-yl]-5-hydroxy-2,3-dihydroisoindol-1-one;6-fluoro-3-(6-hydroxy-3-oxo-1,2-dihydroisoindol-1-yl)-1H-indole-2-carbaldehyde has a molecular weight of 1077.20 g/mol, XLogP of 11.94, 12 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (1-benzylindol-6-yl)methanamine;3-[2-[[(1-benzylindol-6-yl)methylamino]methyl]-6-fluoro-1H-indol-3-yl]-5-hydroxy-2,3-dihydroisoindol-1-one;6-fluoro-3-(6-hydroxy-3-oxo-1,2-dihydroisoindol-1-yl)-1H-indole-2-carbaldehyde is sourced from PubChem (CID 165038770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).