3,4-dibromo-1-methylpyrrole-2,5-dione;3-[3-[4-(1,5-dimethylindol-3-yl)-1-methylpyrrol-3-yl]-5-methylindol-1-yl]propan-1-amine;1,5-dimethyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]indole;5-methyl-1H-indole

C65H65Br2N9O2 — CID 157229267

IUPAC3,4-dibromo-1-methylpyrrole-2,5-dione;3-[3-[4-(1,5-dimethylindol-3-yl)-1-methylpyrrol-3-yl]-5-methylindol-1-yl]propan-1-amine;1,5-dimethyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]indole;5-methyl-1H-indole
SMILESCN1C(=O)C(Br)=C(Br)C1=O.Cc1ccc2[nH]cc(-c3cn(C)cc3-c3cn(C)c4ccc(C)cc34)c2c1.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(c1)c(-c1cn(C)cc1-c1cn(CCCN)c3ccc(C)cc13)cn2C
InChIInChI=1S/C27H30N4.C24H23N3.C9H9N.C5H3Br2NO2/c1-18-6-8-26-20(12-18)24(16-30(26)4)22-14-29(3)15-23(22)25-17-31(11-5-10-28)27-9-7-19(2)13-21(25)27;1-15-5-7-23-17(9-15)19(11-25-23)20-12-26(3)13-21(20)22-14-27(4)24-8-6-16(2)10-18(22)24;1-7-2-3-9-8(6-7)4-5-10-9;1-8-4(9)2(6)3(7)5(8)10/h6-9,12-17H,5,10-11,28H2,1-4H3;5-14,25H,1-4H3;2-6,10H,1H3;1H3
InChIKeyATXMMBGTGRYRFD-UHFFFAOYSA-N
MW1164.10 g/mol
LogP15.18
Rot. Bonds7

About 3,4-dibromo-1-methylpyrrole-2,5-dione;3-[3-[4-(1,5-dimethylindol-3-yl)-1-methylpyrrol-3-yl]-5-methylindol-1-yl]propan-1-amine;1,5-dimethyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]indole;5-methyl-1H-indole

3,4-dibromo-1-methylpyrrole-2,5-dione;3-[3-[4-(1,5-dimethylindol-3-yl)-1-methylpyrrol-3-yl]-5-methylindol-1-yl]propan-1-amine;1,5-dimethyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]indole;5-methyl-1H-indole (PubChem CID 157229267) has the molecular formula C65H65Br2N9O2 and a molecular weight of 1164.10 g/mol. Its IUPAC name is 3,4-dibromo-1-methylpyrrole-2,5-dione;3-[3-[4-(1,5-dimethylindol-3-yl)-1-methylpyrrol-3-yl]-5-methylindol-1-yl]propan-1-amine;1,5-dimethyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]indole;5-methyl-1H-indole.

Molecular Properties

Compound Name3,4-dibromo-1-methylpyrrole-2,5-dione;3-[3-[4-(1,5-dimethylindol-3-yl)-1-methylpyrrol-3-yl]-5-methylindol-1-yl]propan-1-amine;1,5-dimethyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]indole;5-methyl-1H-indole
PubChem CID157229267
Molecular FormulaC65H65Br2N9O2
Molecular Weight1164.10 g/mol
Exact Mass1161.36
IUPAC Name3,4-dibromo-1-methylpyrrole-2,5-dione;3-[3-[4-(1,5-dimethylindol-3-yl)-1-methylpyrrol-3-yl]-5-methylindol-1-yl]propan-1-amine;1,5-dimethyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]indole;5-methyl-1H-indole
SMILESCN1C(=O)C(Br)=C(Br)C1=O.Cc1ccc2[nH]cc(-c3cn(C)cc3-c3cn(C)c4ccc(C)cc34)c2c1.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(c1)c(-c1cn(C)cc1-c1cn(CCCN)c3ccc(C)cc13)cn2C
InChIInChI=1S/C27H30N4.C24H23N3.C9H9N.C5H3Br2NO2/c1-18-6-8-26-20(12-18)24(16-30(26)4)22-14-29(3)15-23(22)25-17-31(11-5-10-28)27-9-7-19(2)13-21(25)27;1-15-5-7-23-17(9-15)19(11-25-23)20-12-26(3)13-21(20)22-14-27(4)24-8-6-16(2)10-18(22)24;1-7-2-3-9-8(6-7)4-5-10-9;1-8-4(9)2(6)3(7)5(8)10/h6-9,12-17H,5,10-11,28H2,1-4H3;5-14,25H,1-4H3;2-6,10H,1H3;1H3
InChIKeyATXMMBGTGRYRFD-UHFFFAOYSA-N
XLogP15.18
TPSA119.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001164.10
LogP ≤ 515.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-1-methylpyrrole-2,5-dione;3-[3-[4-(1,5-dimethylindol-3-yl)-1-methylpyrrol-3-yl]-5-methylindol-1-yl]propan-1-amine;1,5-dimethyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]indole;5-methyl-1H-indole?
The IUPAC name of 3,4-dibromo-1-methylpyrrole-2,5-dione;3-[3-[4-(1,5-dimethylindol-3-yl)-1-methylpyrrol-3-yl]-5-methylindol-1-yl]propan-1-amine;1,5-dimethyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]indole;5-methyl-1H-indole (CID 157229267) is 3,4-dibromo-1-methylpyrrole-2,5-dione;3-[3-[4-(1,5-dimethylindol-3-yl)-1-methylpyrrol-3-yl]-5-methylindol-1-yl]propan-1-amine;1,5-dimethyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]indole;5-methyl-1H-indole.
What is the SMILES notation for 3,4-dibromo-1-methylpyrrole-2,5-dione;3-[3-[4-(1,5-dimethylindol-3-yl)-1-methylpyrrol-3-yl]-5-methylindol-1-yl]propan-1-amine;1,5-dimethyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]indole;5-methyl-1H-indole?
The canonical SMILES for 3,4-dibromo-1-methylpyrrole-2,5-dione;3-[3-[4-(1,5-dimethylindol-3-yl)-1-methylpyrrol-3-yl]-5-methylindol-1-yl]propan-1-amine;1,5-dimethyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]indole;5-methyl-1H-indole is CN1C(=O)C(Br)=C(Br)C1=O.Cc1ccc2[nH]cc(-c3cn(C)cc3-c3cn(C)c4ccc(C)cc34)c2c1.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(c1)c(-c1cn(C)cc1-c1cn(CCCN)c3ccc(C)cc13)cn2C.
What is the InChIKey of 3,4-dibromo-1-methylpyrrole-2,5-dione;3-[3-[4-(1,5-dimethylindol-3-yl)-1-methylpyrrol-3-yl]-5-methylindol-1-yl]propan-1-amine;1,5-dimethyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]indole;5-methyl-1H-indole?
The InChIKey is ATXMMBGTGRYRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4.C24H23N3.C9H9N.C5H3Br2NO2/c1-18-6-8-26-20(12-18)24(16-30(26)4)22-14-29(3)15-23(22)25-17-31(11-5-10-28)27-9-7-19(2)13-21(25)27;1-15-5-7-23-17(9-15)19(11-25-23)20-12-26(3)13-21(20)22-14-27(4)24-8-6-16(2)10-18(22)24;1-7-2-3-9-8(6-7)4-5-10-9;1-8-4(9)2(6)3(7)5(8)10/h6-9,12-17H,5,10-11,28H2,1-4H3;5-14,25H,1-4H3;2-6,10H,1H3;1H3.
What are the key properties of 3,4-dibromo-1-methylpyrrole-2,5-dione;3-[3-[4-(1,5-dimethylindol-3-yl)-1-methylpyrrol-3-yl]-5-methylindol-1-yl]propan-1-amine;1,5-dimethyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]indole;5-methyl-1H-indole?
3,4-dibromo-1-methylpyrrole-2,5-dione;3-[3-[4-(1,5-dimethylindol-3-yl)-1-methylpyrrol-3-yl]-5-methylindol-1-yl]propan-1-amine;1,5-dimethyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]indole;5-methyl-1H-indole has a molecular weight of 1164.10 g/mol, XLogP of 15.18, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-1-methylpyrrole-2,5-dione;3-[3-[4-(1,5-dimethylindol-3-yl)-1-methylpyrrol-3-yl]-5-methylindol-1-yl]propan-1-amine;1,5-dimethyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]indole;5-methyl-1H-indole is sourced from PubChem (CID 157229267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).