9-amino-1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]nonan-2-one;bis(9-[bis(pyridin-2-ylmethyl)amino]-1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]nonan-2-one);methane;methanone;2-methoxypyridine;rhenium;trihydrate

C115H136Cl3N11O16Re2-6 — CID 161176897

About 9-amino-1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]nonan-2-one;bis(9-[bis(pyridin-2-ylmethyl)amino]-1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]nonan-2-one);methane;methanone;2-methoxypyridine;rhenium;trihydrate

9-amino-1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]nonan-2-one;bis(9-[bis(pyridin-2-ylmethyl)amino]-1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]nonan-2-one);methane;methanone;2-methoxypyridine;rhenium;trihydrate (PubChem CID 161176897) has the molecular formula C115H136Cl3N11O16Re2-6 and a molecular weight of 2407.19 g/mol. Its IUPAC name is 9-amino-1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]nonan-2-one;bis(9-[bis(pyridin-2-ylmethyl)amino]-1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]nonan-2-one);methane;methanone;2-methoxypyridine;rhenium;trihydrate.

Molecular Properties

• Compound Name: 9-amino-1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]nonan-2-one;bis(9-[bis(pyridin-2-ylmethyl)amino]-1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]nonan-2-one);methane;methanone;2-methoxypyridine;rhenium;trihydrate
• PubChem CID: 161176897
• Molecular Formula: C115H136Cl3N11O16Re2-6
• Molecular Weight: 2407.19 g/mol
• Exact Mass: 2405.84
• IUPAC Name: 9-amino-1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]nonan-2-one;bis(9-[bis(pyridin-2-ylmethyl)amino]-1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]nonan-2-one);methane;methanone;2-methoxypyridine;rhenium;trihydrate
• SMILES: C.COc1ccccn1.Cc1ccc2c(c1)c(CC(=O)CCCCCCCN(Cc1ccccn1)Cc1ccccn1)c(C)n2C(=O)c1ccc(Cl)cc1.Cc1ccc2c(c1)c(CC(=O)CCCCCCCN(Cc1ccccn1)Cc1ccccn1)c(C)n2C(=O)c1ccc(Cl)cc1.Cc1ccc2c(c1)c(CC(=O)CCCCCCCN)c(C)n2C(=O)c1ccc(Cl)cc1.O.O.O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Re].[Re]
• InChI: InChI=1S/2C38H41ClN4O2.C26H31ClN2O2.C6H7NO.6CHO.CH4.3H2O.2Re/c2*1-28-15-20-37-36(24-28)35(29(2)43(37)38(45)30-16-18-31(39)19-17-30)25-34(44)14-6-4-3-5-11-23-42(26-32-12-7-9-21-40-32)27-33-13-8-10-22-41-33;1-18-9-14-25-24(16-18)23(17-22(30)8-6-4-3-5-7-15-28)19(2)29(25)26(31)20-10-12-21(27)13-11-20;1-8-6-4-2-3-5-7-6;6*1-2;;;;;;/h2*7-10,12-13,15-22,24H,3-6,11,14,23,25-27H2,1-2H3;9-14,16H,3-8,15,17,28H2,1-2H3;2-5H,1H3;6*1H;1H4;3*1H2;;/q;;;;6*-1
• InChIKey: IICZUYIVXGUNRI-UHFFFAOYSA-N
• XLogP: 20.70
• TPSA: 420.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 41
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2407.19
LogP ≤ 5	20.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-amino-1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]nonan-2-one;bis(9-[bis(pyridin-2-ylmethyl)amino]-1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]nonan-2-one);methane;methanone;2-methoxypyridine;rhenium;trihydrate?

The IUPAC name of 9-amino-1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]nonan-2-one;bis(9-[bis(pyridin-2-ylmethyl)amino]-1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]nonan-2-one);methane;methanone;2-methoxypyridine;rhenium;trihydrate (CID 161176897) is 9-amino-1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]nonan-2-one;bis(9-[bis(pyridin-2-ylmethyl)amino]-1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]nonan-2-one);methane;methanone;2-methoxypyridine;rhenium;trihydrate.

What is the SMILES notation for 9-amino-1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]nonan-2-one;bis(9-[bis(pyridin-2-ylmethyl)amino]-1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]nonan-2-one);methane;methanone;2-methoxypyridine;rhenium;trihydrate?

The canonical SMILES for 9-amino-1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]nonan-2-one;bis(9-[bis(pyridin-2-ylmethyl)amino]-1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]nonan-2-one);methane;methanone;2-methoxypyridine;rhenium;trihydrate is C.COc1ccccn1.Cc1ccc2c(c1)c(CC(=O)CCCCCCCN(Cc1ccccn1)Cc1ccccn1)c(C)n2C(=O)c1ccc(Cl)cc1.Cc1ccc2c(c1)c(CC(=O)CCCCCCCN(Cc1ccccn1)Cc1ccccn1)c(C)n2C(=O)c1ccc(Cl)cc1.Cc1ccc2c(c1)c(CC(=O)CCCCCCCN)c(C)n2C(=O)c1ccc(Cl)cc1.O.O.O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Re].[Re].

What is the InChIKey of 9-amino-1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]nonan-2-one;bis(9-[bis(pyridin-2-ylmethyl)amino]-1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]nonan-2-one);methane;methanone;2-methoxypyridine;rhenium;trihydrate?

The InChIKey is IICZUYIVXGUNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C38H41ClN4O2.C26H31ClN2O2.C6H7NO.6CHO.CH4.3H2O.2Re/c2*1-28-15-20-37-36(24-28)35(29(2)43(37)38(45)30-16-18-31(39)19-17-30)25-34(44)14-6-4-3-5-11-23-42(26-32-12-7-9-21-40-32)27-33-13-8-10-22-41-33;1-18-9-14-25-24(16-18)23(17-22(30)8-6-4-3-5-7-15-28)19(2)29(25)26(31)20-10-12-21(27)13-11-20;1-8-6-4-2-3-5-7-6;6*1-2;;;;;;/h2*7-10,12-13,15-22,24H,3-6,11,14,23,25-27H2,1-2H3;9-14,16H,3-8,15,17,28H2,1-2H3;2-5H,1H3;6*1H;1H4;3*1H2;;/q;;;;6*-1;;;;;;.

What are the key properties of 9-amino-1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]nonan-2-one;bis(9-[bis(pyridin-2-ylmethyl)amino]-1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]nonan-2-one);methane;methanone;2-methoxypyridine;rhenium;trihydrate?

9-amino-1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]nonan-2-one;bis(9-[bis(pyridin-2-ylmethyl)amino]-1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]nonan-2-one);methane;methanone;2-methoxypyridine;rhenium;trihydrate has a molecular weight of 2407.19 g/mol, XLogP of 20.70, 41 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 9-amino-1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]nonan-2-one;bis(9-[bis(pyridin-2-ylmethyl)amino]-1-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]nonan-2-one);methane;methanone;2-methoxypyridine;rhenium;trihydrate is sourced from PubChem (CID 161176897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).