sodium;tert-butyl N-[(2S)-1-[(3,5-diphenyl-1H-indole-2-carbonyl)amino]hexan-2-yl]carbamate;bis(N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide);3,5-diphenyl-1H-indole-2-carboxylic acid;methane;methyl 3,5-dibromo-1H-indole-2-carboxylate;methyl 3,5-diphenyl-1H-indole-2-carboxylate;hydroxide;hydrochloride

C139H142Br2ClN14NaO12 — CID 157318909

About sodium;tert-butyl N-[(2S)-1-[(3,5-diphenyl-1H-indole-2-carbonyl)amino]hexan-2-yl]carbamate;bis(N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide);3,5-diphenyl-1H-indole-2-carboxylic acid;methane;methyl 3,5-dibromo-1H-indole-2-carboxylate;methyl 3,5-diphenyl-1H-indole-2-carboxylate;hydroxide;hydrochloride

sodium;tert-butyl N-[(2S)-1-[(3,5-diphenyl-1H-indole-2-carbonyl)amino]hexan-2-yl]carbamate;bis(N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide);3,5-diphenyl-1H-indole-2-carboxylic acid;methane;methyl 3,5-dibromo-1H-indole-2-carboxylate;methyl 3,5-diphenyl-1H-indole-2-carboxylate;hydroxide;hydrochloride (PubChem CID 157318909) has the molecular formula C139H142Br2ClN14NaO12 and a molecular weight of 2419.00 g/mol. Its IUPAC name is sodium;tert-butyl N-[(2S)-1-[(3,5-diphenyl-1H-indole-2-carbonyl)amino]hexan-2-yl]carbamate;bis(N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide);3,5-diphenyl-1H-indole-2-carboxylic acid;methane;methyl 3,5-dibromo-1H-indole-2-carboxylate;methyl 3,5-diphenyl-1H-indole-2-carboxylate;hydroxide;hydrochloride.

Molecular Properties

• Compound Name: sodium;tert-butyl N-[(2S)-1-[(3,5-diphenyl-1H-indole-2-carbonyl)amino]hexan-2-yl]carbamate;bis(N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide);3,5-diphenyl-1H-indole-2-carboxylic acid;methane;methyl 3,5-dibromo-1H-indole-2-carboxylate;methyl 3,5-diphenyl-1H-indole-2-carboxylate;hydroxide;hydrochloride
• PubChem CID: 157318909
• Molecular Formula: C139H142Br2ClN14NaO12
• Molecular Weight: 2419.00 g/mol
• Exact Mass: 2414.89
• IUPAC Name: sodium;tert-butyl N-[(2S)-1-[(3,5-diphenyl-1H-indole-2-carbonyl)amino]hexan-2-yl]carbamate;bis(N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide);3,5-diphenyl-1H-indole-2-carboxylic acid;methane;methyl 3,5-dibromo-1H-indole-2-carboxylate;methyl 3,5-diphenyl-1H-indole-2-carboxylate;hydroxide;hydrochloride
• SMILES: C.C.CCCC[C@@H](CNC(=O)c1[nH]c2ccc(-c3ccccc3)cc2c1-c1ccccc1)NC(=O)OC(C)(C)C.COC(=O)c1[nH]c2ccc(-c3ccccc3)cc2c1-c1ccccc1.COC(=O)c1[nH]c2ccc(Br)cc2c1Br.Cl.NCCC[C@H](N)CNC(=O)c1[nH]c2ccc(-c3ccccc3)cc2c1-c1ccccc1.NCCC[C@H](N)CNC(=O)c1[nH]c2ccc(-c3ccccc3)cc2c1-c1ccccc1.O=C(O)c1[nH]c2ccc(-c3ccccc3)cc2c1-c1ccccc1.[Na+].[OH-]
• InChI: InChI=1S/C32H37N3O3.2C26H28N4O.C22H17NO2.C21H15NO2.C10H7Br2NO2.2CH4.ClH.Na.H2O/c1-5-6-17-25(34-31(37)38-32(2,3)4)21-33-30(36)29-28(23-15-11-8-12-16-23)26-20-24(18-19-27(26)35-29)22-13-9-7-10-14-22;2*27-15-7-12-21(28)17-29-26(31)25-24(19-10-5-2-6-11-19)22-16-20(13-14-23(22)30-25)18-8-3-1-4-9-18;1-25-22(24)21-20(16-10-6-3-7-11-16)18-14-17(12-13-19(18)23-21)15-8-4-2-5-9-15;23-21(24)20-19(15-9-5-2-6-10-15)17-13-16(11-12-18(17)22-20)14-7-3-1-4-8-14;1-15-10(14)9-8(12)6-4-5(11)2-3-7(6)13-9;;;;;/h7-16,18-20,25,35H,5-6,17,21H2,1-4H3,(H,33,36)(H,34,37);2*1-6,8-11,13-14,16,21,30H,7,12,15,17,27-28H2,(H,29,31);2-14,23H,1H3;1-13,22H,(H,23,24);2-4,13H,1H3;2*1H4;1H;;1H2/q;;;;;;;;;+1;/p-1/t25-;2*21-;;;;;;;;/m000......../s1
• InChIKey: WPHJJLGOAASMMP-YELHWISISA-M
• XLogP: 28.40
• TPSA: 444.35 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 15
• Rotatable Bonds: 32
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2419.00
LogP ≤ 5	28.40
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;tert-butyl N-[(2S)-1-[(3,5-diphenyl-1H-indole-2-carbonyl)amino]hexan-2-yl]carbamate;bis(N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide);3,5-diphenyl-1H-indole-2-carboxylic acid;methane;methyl 3,5-dibromo-1H-indole-2-carboxylate;methyl 3,5-diphenyl-1H-indole-2-carboxylate;hydroxide;hydrochloride?

The IUPAC name of sodium;tert-butyl N-[(2S)-1-[(3,5-diphenyl-1H-indole-2-carbonyl)amino]hexan-2-yl]carbamate;bis(N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide);3,5-diphenyl-1H-indole-2-carboxylic acid;methane;methyl 3,5-dibromo-1H-indole-2-carboxylate;methyl 3,5-diphenyl-1H-indole-2-carboxylate;hydroxide;hydrochloride (CID 157318909) is sodium;tert-butyl N-[(2S)-1-[(3,5-diphenyl-1H-indole-2-carbonyl)amino]hexan-2-yl]carbamate;bis(N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide);3,5-diphenyl-1H-indole-2-carboxylic acid;methane;methyl 3,5-dibromo-1H-indole-2-carboxylate;methyl 3,5-diphenyl-1H-indole-2-carboxylate;hydroxide;hydrochloride.

What is the SMILES notation for sodium;tert-butyl N-[(2S)-1-[(3,5-diphenyl-1H-indole-2-carbonyl)amino]hexan-2-yl]carbamate;bis(N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide);3,5-diphenyl-1H-indole-2-carboxylic acid;methane;methyl 3,5-dibromo-1H-indole-2-carboxylate;methyl 3,5-diphenyl-1H-indole-2-carboxylate;hydroxide;hydrochloride?

The canonical SMILES for sodium;tert-butyl N-[(2S)-1-[(3,5-diphenyl-1H-indole-2-carbonyl)amino]hexan-2-yl]carbamate;bis(N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide);3,5-diphenyl-1H-indole-2-carboxylic acid;methane;methyl 3,5-dibromo-1H-indole-2-carboxylate;methyl 3,5-diphenyl-1H-indole-2-carboxylate;hydroxide;hydrochloride is C.C.CCCC[C@@H](CNC(=O)c1[nH]c2ccc(-c3ccccc3)cc2c1-c1ccccc1)NC(=O)OC(C)(C)C.COC(=O)c1[nH]c2ccc(-c3ccccc3)cc2c1-c1ccccc1.COC(=O)c1[nH]c2ccc(Br)cc2c1Br.Cl.NCCC[C@H](N)CNC(=O)c1[nH]c2ccc(-c3ccccc3)cc2c1-c1ccccc1.NCCC[C@H](N)CNC(=O)c1[nH]c2ccc(-c3ccccc3)cc2c1-c1ccccc1.O=C(O)c1[nH]c2ccc(-c3ccccc3)cc2c1-c1ccccc1.[Na+].[OH-].

What is the InChIKey of sodium;tert-butyl N-[(2S)-1-[(3,5-diphenyl-1H-indole-2-carbonyl)amino]hexan-2-yl]carbamate;bis(N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide);3,5-diphenyl-1H-indole-2-carboxylic acid;methane;methyl 3,5-dibromo-1H-indole-2-carboxylate;methyl 3,5-diphenyl-1H-indole-2-carboxylate;hydroxide;hydrochloride?

The InChIKey is WPHJJLGOAASMMP-YELHWISISA-M. The full InChI is InChI=1S/C32H37N3O3.2C26H28N4O.C22H17NO2.C21H15NO2.C10H7Br2NO2.2CH4.ClH.Na.H2O/c1-5-6-17-25(34-31(37)38-32(2,3)4)21-33-30(36)29-28(23-15-11-8-12-16-23)26-20-24(18-19-27(26)35-29)22-13-9-7-10-14-22;2*27-15-7-12-21(28)17-29-26(31)25-24(19-10-5-2-6-11-19)22-16-20(13-14-23(22)30-25)18-8-3-1-4-9-18;1-25-22(24)21-20(16-10-6-3-7-11-16)18-14-17(12-13-19(18)23-21)15-8-4-2-5-9-15;23-21(24)20-19(15-9-5-2-6-10-15)17-13-16(11-12-18(17)22-20)14-7-3-1-4-8-14;1-15-10(14)9-8(12)6-4-5(11)2-3-7(6)13-9;;;;;/h7-16,18-20,25,35H,5-6,17,21H2,1-4H3,(H,33,36)(H,34,37);2*1-6,8-11,13-14,16,21,30H,7,12,15,17,27-28H2,(H,29,31);2-14,23H,1H3;1-13,22H,(H,23,24);2-4,13H,1H3;2*1H4;1H;;1H2/q;;;;;;;;;+1;/p-1/t25-;2*21-;;;;;;;;/m000......../s1.

What are the key properties of sodium;tert-butyl N-[(2S)-1-[(3,5-diphenyl-1H-indole-2-carbonyl)amino]hexan-2-yl]carbamate;bis(N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide);3,5-diphenyl-1H-indole-2-carboxylic acid;methane;methyl 3,5-dibromo-1H-indole-2-carboxylate;methyl 3,5-diphenyl-1H-indole-2-carboxylate;hydroxide;hydrochloride?

sodium;tert-butyl N-[(2S)-1-[(3,5-diphenyl-1H-indole-2-carbonyl)amino]hexan-2-yl]carbamate;bis(N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide);3,5-diphenyl-1H-indole-2-carboxylic acid;methane;methyl 3,5-dibromo-1H-indole-2-carboxylate;methyl 3,5-diphenyl-1H-indole-2-carboxylate;hydroxide;hydrochloride has a molecular weight of 2419.00 g/mol, XLogP of 28.40, 32 rotatable bonds, 15 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;tert-butyl N-[(2S)-1-[(3,5-diphenyl-1H-indole-2-carbonyl)amino]hexan-2-yl]carbamate;bis(N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide);3,5-diphenyl-1H-indole-2-carboxylic acid;methane;methyl 3,5-dibromo-1H-indole-2-carboxylate;methyl 3,5-diphenyl-1H-indole-2-carboxylate;hydroxide;hydrochloride is sourced from PubChem (CID 157318909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).