bis([3-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium);trimethyl-[3-[(6-methyl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;trimethyl-[3-[(5-phenoxy-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;bis(trimethyl-[3-[(5-propan-2-yl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium)

C131H148N12O15+6 — CID 158567453

About bis([3-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium);trimethyl-[3-[(6-methyl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;trimethyl-[3-[(5-phenoxy-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;bis(trimethyl-[3-[(5-propan-2-yl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium)

bis([3-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium);trimethyl-[3-[(6-methyl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;trimethyl-[3-[(5-phenoxy-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;bis(trimethyl-[3-[(5-propan-2-yl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium) (PubChem CID 158567453) has the molecular formula C131H148N12O15+6 and a molecular weight of 2130.69 g/mol. Its IUPAC name is bis([3-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium);trimethyl-[3-[(6-methyl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;trimethyl-[3-[(5-phenoxy-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;bis(trimethyl-[3-[(5-propan-2-yl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium).

Molecular Properties

• Compound Name: bis([3-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium);trimethyl-[3-[(6-methyl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;trimethyl-[3-[(5-phenoxy-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;bis(trimethyl-[3-[(5-propan-2-yl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium)
• PubChem CID: 158567453
• Molecular Formula: C131H148N12O15+6
• Molecular Weight: 2130.69 g/mol
• Exact Mass: 2129.12
• IUPAC Name: bis([3-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium);trimethyl-[3-[(6-methyl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;trimethyl-[3-[(5-phenoxy-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;bis(trimethyl-[3-[(5-propan-2-yl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium)
• SMILES: CC(=O)c1ccc2[nH]c(COC(=O)c3cccc([N+](C)(C)C)c3)cc2c1.CC(=O)c1ccc2[nH]c(COC(=O)c3cccc([N+](C)(C)C)c3)cc2c1.CC(C)c1ccc2[nH]c(COC(=O)c3cccc([N+](C)(C)C)c3)cc2c1.CC(C)c1ccc2[nH]c(COC(=O)c3cccc([N+](C)(C)C)c3)cc2c1.C[N+](C)(C)c1cccc(C(=O)OCc2cc3cc(Oc4ccccc4)ccc3[nH]2)c1.Cc1ccc2cc(COC(=O)c3cccc([N+](C)(C)C)c3)[nH]c2c1
• InChI: InChI=1S/C25H25N2O3.2C22H27N2O2.2C21H22N2O3.C20H23N2O2/c1-27(2,3)21-9-7-8-18(15-21)25(28)29-17-20-14-19-16-23(12-13-24(19)26-20)30-22-10-5-4-6-11-22;2*1-15(2)16-9-10-21-18(11-16)12-19(23-21)14-26-22(25)17-7-6-8-20(13-17)24(3,4)5;2*1-14(24)15-8-9-20-17(10-15)11-18(22-20)13-26-21(25)16-6-5-7-19(12-16)23(2,3)4;1-14-8-9-15-11-17(21-19(15)10-14)13-24-20(23)16-6-5-7-18(12-16)22(2,3)4/h4-16,26H,17H2,1-3H3;2*6-13,15,23H,14H2,1-5H3;2*5-12H,13H2,1-4H3;5-12,21H,13H2,1-4H3/q3*+1;;;+1/p+2
• InChIKey: NKKZOVKWVCJDEI-UHFFFAOYSA-P
• XLogP: 27.08
• TPSA: 295.91 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 30
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2130.69
LogP ≤ 5	27.08
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis([3-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium);trimethyl-[3-[(6-methyl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;trimethyl-[3-[(5-phenoxy-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;bis(trimethyl-[3-[(5-propan-2-yl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium)?

The IUPAC name of bis([3-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium);trimethyl-[3-[(6-methyl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;trimethyl-[3-[(5-phenoxy-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;bis(trimethyl-[3-[(5-propan-2-yl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium) (CID 158567453) is bis([3-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium);trimethyl-[3-[(6-methyl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;trimethyl-[3-[(5-phenoxy-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;bis(trimethyl-[3-[(5-propan-2-yl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium).

What is the SMILES notation for bis([3-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium);trimethyl-[3-[(6-methyl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;trimethyl-[3-[(5-phenoxy-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;bis(trimethyl-[3-[(5-propan-2-yl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium)?

The canonical SMILES for bis([3-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium);trimethyl-[3-[(6-methyl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;trimethyl-[3-[(5-phenoxy-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;bis(trimethyl-[3-[(5-propan-2-yl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium) is CC(=O)c1ccc2[nH]c(COC(=O)c3cccc([N+](C)(C)C)c3)cc2c1.CC(=O)c1ccc2[nH]c(COC(=O)c3cccc([N+](C)(C)C)c3)cc2c1.CC(C)c1ccc2[nH]c(COC(=O)c3cccc([N+](C)(C)C)c3)cc2c1.CC(C)c1ccc2[nH]c(COC(=O)c3cccc([N+](C)(C)C)c3)cc2c1.C[N+](C)(C)c1cccc(C(=O)OCc2cc3cc(Oc4ccccc4)ccc3[nH]2)c1.Cc1ccc2cc(COC(=O)c3cccc([N+](C)(C)C)c3)[nH]c2c1.

What is the InChIKey of bis([3-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium);trimethyl-[3-[(6-methyl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;trimethyl-[3-[(5-phenoxy-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;bis(trimethyl-[3-[(5-propan-2-yl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium)?

The InChIKey is NKKZOVKWVCJDEI-UHFFFAOYSA-P. The full InChI is InChI=1S/C25H25N2O3.2C22H27N2O2.2C21H22N2O3.C20H23N2O2/c1-27(2,3)21-9-7-8-18(15-21)25(28)29-17-20-14-19-16-23(12-13-24(19)26-20)30-22-10-5-4-6-11-22;2*1-15(2)16-9-10-21-18(11-16)12-19(23-21)14-26-22(25)17-7-6-8-20(13-17)24(3,4)5;2*1-14(24)15-8-9-20-17(10-15)11-18(22-20)13-26-21(25)16-6-5-7-19(12-16)23(2,3)4;1-14-8-9-15-11-17(21-19(15)10-14)13-24-20(23)16-6-5-7-18(12-16)22(2,3)4/h4-16,26H,17H2,1-3H3;2*6-13,15,23H,14H2,1-5H3;2*5-12H,13H2,1-4H3;5-12,21H,13H2,1-4H3/q3*+1;;;+1/p+2.

What are the key properties of bis([3-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium);trimethyl-[3-[(6-methyl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;trimethyl-[3-[(5-phenoxy-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;bis(trimethyl-[3-[(5-propan-2-yl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium)?

bis([3-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium);trimethyl-[3-[(6-methyl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;trimethyl-[3-[(5-phenoxy-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;bis(trimethyl-[3-[(5-propan-2-yl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium) has a molecular weight of 2130.69 g/mol, XLogP of 27.08, 30 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for bis([3-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium);trimethyl-[3-[(6-methyl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;trimethyl-[3-[(5-phenoxy-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;bis(trimethyl-[3-[(5-propan-2-yl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium) is sourced from PubChem (CID 158567453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).