2-[4-(5-carboxy-3H-indol-2-yl)phenyl]-3H-indole-5-carboxylic acid;N-[[2-[4-[6-[[2-(dimethylamino)ethylamino]methyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-[4-(5-methoxy-3H-indol-2-yl)phenyl]-3H-indole-5-carbaldehyde;N-methoxymethanamine;N-methoxy-2-[4-[5-[methoxy(methyl)carbamoyl]-3H-indol-2-yl]phenyl]-N-methyl-3H-indole-5-carboxamide;N-[[2-[4-[6-[[methoxy(methyl)amino]methyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine

C140H150N26O12 — CID 157271208

About 2-[4-(5-carboxy-3H-indol-2-yl)phenyl]-3H-indole-5-carboxylic acid;N-[[2-[4-[6-[[2-(dimethylamino)ethylamino]methyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-[4-(5-methoxy-3H-indol-2-yl)phenyl]-3H-indole-5-carbaldehyde;N-methoxymethanamine;N-methoxy-2-[4-[5-[methoxy(methyl)carbamoyl]-3H-indol-2-yl]phenyl]-N-methyl-3H-indole-5-carboxamide;N-[[2-[4-[6-[[methoxy(methyl)amino]methyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine

2-[4-(5-carboxy-3H-indol-2-yl)phenyl]-3H-indole-5-carboxylic acid;N-[[2-[4-[6-[[2-(dimethylamino)ethylamino]methyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-[4-(5-methoxy-3H-indol-2-yl)phenyl]-3H-indole-5-carbaldehyde;N-methoxymethanamine;N-methoxy-2-[4-[5-[methoxy(methyl)carbamoyl]-3H-indol-2-yl]phenyl]-N-methyl-3H-indole-5-carboxamide;N-[[2-[4-[6-[[methoxy(methyl)amino]methyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 157271208) has the molecular formula C140H150N26O12 and a molecular weight of 2388.91 g/mol. Its IUPAC name is 2-[4-(5-carboxy-3H-indol-2-yl)phenyl]-3H-indole-5-carboxylic acid;N-[[2-[4-[6-[[2-(dimethylamino)ethylamino]methyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-[4-(5-methoxy-3H-indol-2-yl)phenyl]-3H-indole-5-carbaldehyde;N-methoxymethanamine;N-methoxy-2-[4-[5-[methoxy(methyl)carbamoyl]-3H-indol-2-yl]phenyl]-N-methyl-3H-indole-5-carboxamide;N-[[2-[4-[6-[[methoxy(methyl)amino]methyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

• Compound Name: 2-[4-(5-carboxy-3H-indol-2-yl)phenyl]-3H-indole-5-carboxylic acid;N-[[2-[4-[6-[[2-(dimethylamino)ethylamino]methyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-[4-(5-methoxy-3H-indol-2-yl)phenyl]-3H-indole-5-carbaldehyde;N-methoxymethanamine;N-methoxy-2-[4-[5-[methoxy(methyl)carbamoyl]-3H-indol-2-yl]phenyl]-N-methyl-3H-indole-5-carboxamide;N-[[2-[4-[6-[[methoxy(methyl)amino]methyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine
• PubChem CID: 157271208
• Molecular Formula: C140H150N26O12
• Molecular Weight: 2388.91 g/mol
• Exact Mass: 2387.19
• IUPAC Name: 2-[4-(5-carboxy-3H-indol-2-yl)phenyl]-3H-indole-5-carboxylic acid;N-[[2-[4-[6-[[2-(dimethylamino)ethylamino]methyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-[4-(5-methoxy-3H-indol-2-yl)phenyl]-3H-indole-5-carbaldehyde;N-methoxymethanamine;N-methoxy-2-[4-[5-[methoxy(methyl)carbamoyl]-3H-indol-2-yl]phenyl]-N-methyl-3H-indole-5-carboxamide;N-[[2-[4-[6-[[methoxy(methyl)amino]methyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine
• SMILES: CN(C)CCN.CN(C)CCNCc1ccc2nc(-c3ccc(-c4nc5ccc(CNCCN(C)C)cc5[nH]4)cc3)[nH]c2c1.CNOC.CON(C)C(=O)c1ccc2c(c1)CC(c1ccc(C3=Nc4ccc(C(=O)N(C)OC)cc4C3)cc1)=N2.CON(C)Cc1ccc2nc(-c3ccc(-c4nc5ccc(CNCCN(C)C)cc5[nH]4)cc3)[nH]c2c1.COc1ccc2c(c1)CC(c1ccc(C3=Nc4ccc(C=O)cc4C3)cc1)=N2.O=C(O)c1ccc2c(c1)CC(c1ccc(C3=Nc4ccc(C(=O)O)cc4C3)cc1)=N2
• InChI: InChI=1S/C30H38N8.C28H33N7O.C28H26N4O4.C24H16N2O4.C24H18N2O2.C4H12N2.C2H7NO/c1-37(2)15-13-31-19-21-5-11-25-27(17-21)35-29(33-25)23-7-9-24(10-8-23)30-34-26-12-6-22(18-28(26)36-30)20-32-14-16-38(3)4;1-34(2)14-13-29-17-19-5-11-23-25(15-19)32-27(30-23)21-7-9-22(10-8-21)28-31-24-12-6-20(16-26(24)33-28)18-35(3)36-4;1-31(35-3)27(33)19-9-11-23-21(13-19)15-25(29-23)17-5-7-18(8-6-17)26-16-22-14-20(10-12-24(22)30-26)28(34)32(2)36-4;27-23(28)15-5-7-19-17(9-15)11-21(25-19)13-1-2-14(4-3-13)22-12-18-10-16(24(29)30)6-8-20(18)26-22;1-28-20-7-9-22-19(11-20)13-24(26-22)17-5-3-16(4-6-17)23-12-18-10-15(14-27)2-8-21(18)25-23;1-6(2)4-3-5;1-3-4-2/h5-12,17-18,31-32H,13-16,19-20H2,1-4H3,(H,33,35)(H,34,36);5-12,15-16,29H,13-14,17-18H2,1-4H3,(H,30,32)(H,31,33);5-14H,15-16H2,1-4H3;1-10H,11-12H2,(H,27,28)(H,29,30);2-11,14H,12-13H2,1H3;3-5H2,1-2H3;3H,1-2H3
• InChIKey: AYOFYWXFKXLKMD-UHFFFAOYSA-N
• XLogP: 21.37
• TPSA: 457.66 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 30
• Rotatable Bonds: 39
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2388.91
LogP ≤ 5	21.37
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-carboxy-3H-indol-2-yl)phenyl]-3H-indole-5-carboxylic acid;N-[[2-[4-[6-[[2-(dimethylamino)ethylamino]methyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-[4-(5-methoxy-3H-indol-2-yl)phenyl]-3H-indole-5-carbaldehyde;N-methoxymethanamine;N-methoxy-2-[4-[5-[methoxy(methyl)carbamoyl]-3H-indol-2-yl]phenyl]-N-methyl-3H-indole-5-carboxamide;N-[[2-[4-[6-[[methoxy(methyl)amino]methyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine?

The IUPAC name of 2-[4-(5-carboxy-3H-indol-2-yl)phenyl]-3H-indole-5-carboxylic acid;N-[[2-[4-[6-[[2-(dimethylamino)ethylamino]methyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-[4-(5-methoxy-3H-indol-2-yl)phenyl]-3H-indole-5-carbaldehyde;N-methoxymethanamine;N-methoxy-2-[4-[5-[methoxy(methyl)carbamoyl]-3H-indol-2-yl]phenyl]-N-methyl-3H-indole-5-carboxamide;N-[[2-[4-[6-[[methoxy(methyl)amino]methyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine (CID 157271208) is 2-[4-(5-carboxy-3H-indol-2-yl)phenyl]-3H-indole-5-carboxylic acid;N-[[2-[4-[6-[[2-(dimethylamino)ethylamino]methyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-[4-(5-methoxy-3H-indol-2-yl)phenyl]-3H-indole-5-carbaldehyde;N-methoxymethanamine;N-methoxy-2-[4-[5-[methoxy(methyl)carbamoyl]-3H-indol-2-yl]phenyl]-N-methyl-3H-indole-5-carboxamide;N-[[2-[4-[6-[[methoxy(methyl)amino]methyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine.

What is the SMILES notation for 2-[4-(5-carboxy-3H-indol-2-yl)phenyl]-3H-indole-5-carboxylic acid;N-[[2-[4-[6-[[2-(dimethylamino)ethylamino]methyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-[4-(5-methoxy-3H-indol-2-yl)phenyl]-3H-indole-5-carbaldehyde;N-methoxymethanamine;N-methoxy-2-[4-[5-[methoxy(methyl)carbamoyl]-3H-indol-2-yl]phenyl]-N-methyl-3H-indole-5-carboxamide;N-[[2-[4-[6-[[methoxy(methyl)amino]methyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine?

The canonical SMILES for 2-[4-(5-carboxy-3H-indol-2-yl)phenyl]-3H-indole-5-carboxylic acid;N-[[2-[4-[6-[[2-(dimethylamino)ethylamino]methyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-[4-(5-methoxy-3H-indol-2-yl)phenyl]-3H-indole-5-carbaldehyde;N-methoxymethanamine;N-methoxy-2-[4-[5-[methoxy(methyl)carbamoyl]-3H-indol-2-yl]phenyl]-N-methyl-3H-indole-5-carboxamide;N-[[2-[4-[6-[[methoxy(methyl)amino]methyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCN.CN(C)CCNCc1ccc2nc(-c3ccc(-c4nc5ccc(CNCCN(C)C)cc5[nH]4)cc3)[nH]c2c1.CNOC.CON(C)C(=O)c1ccc2c(c1)CC(c1ccc(C3=Nc4ccc(C(=O)N(C)OC)cc4C3)cc1)=N2.CON(C)Cc1ccc2nc(-c3ccc(-c4nc5ccc(CNCCN(C)C)cc5[nH]4)cc3)[nH]c2c1.COc1ccc2c(c1)CC(c1ccc(C3=Nc4ccc(C=O)cc4C3)cc1)=N2.O=C(O)c1ccc2c(c1)CC(c1ccc(C3=Nc4ccc(C(=O)O)cc4C3)cc1)=N2.

What is the InChIKey of 2-[4-(5-carboxy-3H-indol-2-yl)phenyl]-3H-indole-5-carboxylic acid;N-[[2-[4-[6-[[2-(dimethylamino)ethylamino]methyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-[4-(5-methoxy-3H-indol-2-yl)phenyl]-3H-indole-5-carbaldehyde;N-methoxymethanamine;N-methoxy-2-[4-[5-[methoxy(methyl)carbamoyl]-3H-indol-2-yl]phenyl]-N-methyl-3H-indole-5-carboxamide;N-[[2-[4-[6-[[methoxy(methyl)amino]methyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine?

The InChIKey is AYOFYWXFKXLKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N8.C28H33N7O.C28H26N4O4.C24H16N2O4.C24H18N2O2.C4H12N2.C2H7NO/c1-37(2)15-13-31-19-21-5-11-25-27(17-21)35-29(33-25)23-7-9-24(10-8-23)30-34-26-12-6-22(18-28(26)36-30)20-32-14-16-38(3)4;1-34(2)14-13-29-17-19-5-11-23-25(15-19)32-27(30-23)21-7-9-22(10-8-21)28-31-24-12-6-20(16-26(24)33-28)18-35(3)36-4;1-31(35-3)27(33)19-9-11-23-21(13-19)15-25(29-23)17-5-7-18(8-6-17)26-16-22-14-20(10-12-24(22)30-26)28(34)32(2)36-4;27-23(28)15-5-7-19-17(9-15)11-21(25-19)13-1-2-14(4-3-13)22-12-18-10-16(24(29)30)6-8-20(18)26-22;1-28-20-7-9-22-19(11-20)13-24(26-22)17-5-3-16(4-6-17)23-12-18-10-15(14-27)2-8-21(18)25-23;1-6(2)4-3-5;1-3-4-2/h5-12,17-18,31-32H,13-16,19-20H2,1-4H3,(H,33,35)(H,34,36);5-12,15-16,29H,13-14,17-18H2,1-4H3,(H,30,32)(H,31,33);5-14H,15-16H2,1-4H3;1-10H,11-12H2,(H,27,28)(H,29,30);2-11,14H,12-13H2,1H3;3-5H2,1-2H3;3H,1-2H3.

What are the key properties of 2-[4-(5-carboxy-3H-indol-2-yl)phenyl]-3H-indole-5-carboxylic acid;N-[[2-[4-[6-[[2-(dimethylamino)ethylamino]methyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-[4-(5-methoxy-3H-indol-2-yl)phenyl]-3H-indole-5-carbaldehyde;N-methoxymethanamine;N-methoxy-2-[4-[5-[methoxy(methyl)carbamoyl]-3H-indol-2-yl]phenyl]-N-methyl-3H-indole-5-carboxamide;N-[[2-[4-[6-[[methoxy(methyl)amino]methyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine?

2-[4-(5-carboxy-3H-indol-2-yl)phenyl]-3H-indole-5-carboxylic acid;N-[[2-[4-[6-[[2-(dimethylamino)ethylamino]methyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-[4-(5-methoxy-3H-indol-2-yl)phenyl]-3H-indole-5-carbaldehyde;N-methoxymethanamine;N-methoxy-2-[4-[5-[methoxy(methyl)carbamoyl]-3H-indol-2-yl]phenyl]-N-methyl-3H-indole-5-carboxamide;N-[[2-[4-[6-[[methoxy(methyl)amino]methyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 2388.91 g/mol, XLogP of 21.37, 39 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(5-carboxy-3H-indol-2-yl)phenyl]-3H-indole-5-carboxylic acid;N-[[2-[4-[6-[[2-(dimethylamino)ethylamino]methyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-[4-(5-methoxy-3H-indol-2-yl)phenyl]-3H-indole-5-carbaldehyde;N-methoxymethanamine;N-methoxy-2-[4-[5-[methoxy(methyl)carbamoyl]-3H-indol-2-yl]phenyl]-N-methyl-3H-indole-5-carboxamide;N-[[2-[4-[6-[[methoxy(methyl)amino]methyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 157271208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).