3,4-bis(1H-indol-3-yl)-1-(8-oxodecanoyl)pyrrole-2,5-dione;3,4-bis(1H-indol-3-yl)-1-(7-oxononyl)pyrrole-2,5-dione

C59H58N6O7 — CID 157130886

IUPAC3,4-bis(1H-indol-3-yl)-1-(8-oxodecanoyl)pyrrole-2,5-dione;3,4-bis(1H-indol-3-yl)-1-(7-oxononyl)pyrrole-2,5-dione
SMILESCCC(=O)CCCCCCC(=O)N1C(=O)C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccccc23)C1=O.CCC(=O)CCCCCCN1C(=O)C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C30H29N3O4.C29H29N3O3/c1-2-19(34)11-5-3-4-6-16-26(35)33-29(36)27(22-17-31-24-14-9-7-12-20(22)24)28(30(33)37)23-18-32-25-15-10-8-13-21(23)25;1-2-19(33)11-5-3-4-10-16-32-28(34)26(22-17-30-24-14-8-6-12-20(22)24)27(29(32)35)23-18-31-25-15-9-7-13-21(23)25/h7-10,12-15,17-18,31-32H,2-6,11,16H2,1H3;6-9,12-15,17-18,30-31H,2-5,10-11,16H2,1H3
InChIKeyAJBGULCOMOCOKC-UHFFFAOYSA-N
MW963.15 g/mol
LogP11.63
Rot. Bonds20

About 3,4-bis(1H-indol-3-yl)-1-(8-oxodecanoyl)pyrrole-2,5-dione;3,4-bis(1H-indol-3-yl)-1-(7-oxononyl)pyrrole-2,5-dione

3,4-bis(1H-indol-3-yl)-1-(8-oxodecanoyl)pyrrole-2,5-dione;3,4-bis(1H-indol-3-yl)-1-(7-oxononyl)pyrrole-2,5-dione (PubChem CID 157130886) has the molecular formula C59H58N6O7 and a molecular weight of 963.15 g/mol. Its IUPAC name is 3,4-bis(1H-indol-3-yl)-1-(8-oxodecanoyl)pyrrole-2,5-dione;3,4-bis(1H-indol-3-yl)-1-(7-oxononyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-bis(1H-indol-3-yl)-1-(8-oxodecanoyl)pyrrole-2,5-dione;3,4-bis(1H-indol-3-yl)-1-(7-oxononyl)pyrrole-2,5-dione
PubChem CID157130886
Molecular FormulaC59H58N6O7
Molecular Weight963.15 g/mol
Exact Mass962.44
IUPAC Name3,4-bis(1H-indol-3-yl)-1-(8-oxodecanoyl)pyrrole-2,5-dione;3,4-bis(1H-indol-3-yl)-1-(7-oxononyl)pyrrole-2,5-dione
SMILESCCC(=O)CCCCCCC(=O)N1C(=O)C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccccc23)C1=O.CCC(=O)CCCCCCN1C(=O)C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C30H29N3O4.C29H29N3O3/c1-2-19(34)11-5-3-4-6-16-26(35)33-29(36)27(22-17-31-24-14-9-7-12-20(22)24)28(30(33)37)23-18-32-25-15-10-8-13-21(23)25;1-2-19(33)11-5-3-4-10-16-32-28(34)26(22-17-30-24-14-8-6-12-20(22)24)27(29(32)35)23-18-31-25-15-9-7-13-21(23)25/h7-10,12-15,17-18,31-32H,2-6,11,16H2,1H3;6-9,12-15,17-18,30-31H,2-5,10-11,16H2,1H3
InChIKeyAJBGULCOMOCOKC-UHFFFAOYSA-N
XLogP11.63
TPSA189.13 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500963.15
LogP ≤ 511.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3,4-bis(1H-indol-3-yl)-1-(8-oxodecanoyl)pyrrole-2,5-dione;3,4-bis(1H-indol-3-yl)-1-(7-oxononyl)pyrrole-2,5-dione with MolForge

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Related Compounds

3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
CID 2400
10,10-bis(1H-indol-3-yl)-N-methyl-8-oxodecanamide;3,4-bis(2-methyl-1H-indol-3-yl)-1-(7-oxononyl)pyrrole-2,5-dione;3-(1H-indol-3-yl)-4-(3H-indol-3-yl)-1-(8-oxodecanoyl)pyrrole-2,5-dione;N-methyl-10,10-bis(2-methyl-1H-indol-3-yl)-8-oxodecanamide
CID 163872312
6-(1H-indol-3-yl)hexan-3-one
CID 58575746
7-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methylheptanamide;8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;1-[[5-(dimethylamino)naphthalen-1-yl]methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide;3-methyl-N-(6-oxooctyl)-1H-indole-2-carboxamide;1-[(4-methylphenyl)methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide
CID 158671034
8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;6-[3,3-bis(1H-indol-3-yl)propanoylamino]-N-methylhexanamide;6-[3,3-bis(2-methyl-1H-indol-3-yl)propanoylamino]-N-methylhexanamide
CID 158692747
3,4-bis(1H-indol-3-yl)-1-(phenylmethoxymethyl)pyrrole-2,5-dione
CID 54317988
4-(1-butylindol-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione
CID 59616555
3-(1H-indol-3-yl)-1-methyl-4-[(tributyl-λ5-phosphanylidene)amino]pyrrole-2,5-dione
CID 10623032
methyl (2S)-2-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]propanoate
CID 46218510
2-[3-(1H-indol-3-yl)propyl]isoindole-1,3-dione
CID 906585
1-benzyl-3-chloro-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 10806820
1-[2-(1H-indol-3-yl)phenyl]propan-1-one
CID 174611519

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(1H-indol-3-yl)-1-(8-oxodecanoyl)pyrrole-2,5-dione;3,4-bis(1H-indol-3-yl)-1-(7-oxononyl)pyrrole-2,5-dione?
The IUPAC name of 3,4-bis(1H-indol-3-yl)-1-(8-oxodecanoyl)pyrrole-2,5-dione;3,4-bis(1H-indol-3-yl)-1-(7-oxononyl)pyrrole-2,5-dione (CID 157130886) is 3,4-bis(1H-indol-3-yl)-1-(8-oxodecanoyl)pyrrole-2,5-dione;3,4-bis(1H-indol-3-yl)-1-(7-oxononyl)pyrrole-2,5-dione.
What is the SMILES notation for 3,4-bis(1H-indol-3-yl)-1-(8-oxodecanoyl)pyrrole-2,5-dione;3,4-bis(1H-indol-3-yl)-1-(7-oxononyl)pyrrole-2,5-dione?
The canonical SMILES for 3,4-bis(1H-indol-3-yl)-1-(8-oxodecanoyl)pyrrole-2,5-dione;3,4-bis(1H-indol-3-yl)-1-(7-oxononyl)pyrrole-2,5-dione is CCC(=O)CCCCCCC(=O)N1C(=O)C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccccc23)C1=O.CCC(=O)CCCCCCN1C(=O)C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccccc23)C1=O.
What is the InChIKey of 3,4-bis(1H-indol-3-yl)-1-(8-oxodecanoyl)pyrrole-2,5-dione;3,4-bis(1H-indol-3-yl)-1-(7-oxononyl)pyrrole-2,5-dione?
The InChIKey is AJBGULCOMOCOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O4.C29H29N3O3/c1-2-19(34)11-5-3-4-6-16-26(35)33-29(36)27(22-17-31-24-14-9-7-12-20(22)24)28(30(33)37)23-18-32-25-15-10-8-13-21(23)25;1-2-19(33)11-5-3-4-10-16-32-28(34)26(22-17-30-24-14-8-6-12-20(22)24)27(29(32)35)23-18-31-25-15-9-7-13-21(23)25/h7-10,12-15,17-18,31-32H,2-6,11,16H2,1H3;6-9,12-15,17-18,30-31H,2-5,10-11,16H2,1H3.
What are the key properties of 3,4-bis(1H-indol-3-yl)-1-(8-oxodecanoyl)pyrrole-2,5-dione;3,4-bis(1H-indol-3-yl)-1-(7-oxononyl)pyrrole-2,5-dione?
3,4-bis(1H-indol-3-yl)-1-(8-oxodecanoyl)pyrrole-2,5-dione;3,4-bis(1H-indol-3-yl)-1-(7-oxononyl)pyrrole-2,5-dione has a molecular weight of 963.15 g/mol, XLogP of 11.63, 20 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(1H-indol-3-yl)-1-(8-oxodecanoyl)pyrrole-2,5-dione;3,4-bis(1H-indol-3-yl)-1-(7-oxononyl)pyrrole-2,5-dione is sourced from PubChem (CID 157130886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).