1-benzyl-3-(1-hexyl-2-methylindol-3-yl)-4-(2-methyl-1-propylindol-3-yl)pyrrole-2,5-dione

C38H41N3O2 — CID 11250062

IUPAC1-benzyl-3-(1-hexyl-2-methylindol-3-yl)-4-(2-methyl-1-propylindol-3-yl)pyrrole-2,5-dione
SMILESCCCCCCn1c(C)c(C2=C(c3c(C)n(CCC)c4ccccc34)C(=O)N(Cc3ccccc3)C2=O)c2ccccc21
InChIInChI=1S/C38H41N3O2/c1-5-7-8-16-24-40-27(4)34(30-20-13-15-22-32(30)40)36-35(37(42)41(38(36)43)25-28-17-10-9-11-18-28)33-26(3)39(23-6-2)31-21-14-12-19-29(31)33/h9-15,17-22H,5-8,16,23-25H2,1-4H3
InChIKeyOGBOLWIXRBXHEG-UHFFFAOYSA-N
MW571.77 g/mol
LogP8.68
Rot. Bonds11

About 1-benzyl-3-(1-hexyl-2-methylindol-3-yl)-4-(2-methyl-1-propylindol-3-yl)pyrrole-2,5-dione

1-benzyl-3-(1-hexyl-2-methylindol-3-yl)-4-(2-methyl-1-propylindol-3-yl)pyrrole-2,5-dione (PubChem CID 11250062) has the molecular formula C38H41N3O2 and a molecular weight of 571.77 g/mol. Its IUPAC name is 1-benzyl-3-(1-hexyl-2-methylindol-3-yl)-4-(2-methyl-1-propylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-(1-hexyl-2-methylindol-3-yl)-4-(2-methyl-1-propylindol-3-yl)pyrrole-2,5-dione
PubChem CID11250062
Molecular FormulaC38H41N3O2
Molecular Weight571.77 g/mol
Exact Mass571.32
IUPAC Name1-benzyl-3-(1-hexyl-2-methylindol-3-yl)-4-(2-methyl-1-propylindol-3-yl)pyrrole-2,5-dione
SMILESCCCCCCn1c(C)c(C2=C(c3c(C)n(CCC)c4ccccc34)C(=O)N(Cc3ccccc3)C2=O)c2ccccc21
InChIInChI=1S/C38H41N3O2/c1-5-7-8-16-24-40-27(4)34(30-20-13-15-22-32(30)40)36-35(37(42)41(38(36)43)25-28-17-10-9-11-18-28)33-26(3)39(23-6-2)31-21-14-12-19-29(31)33/h9-15,17-22H,5-8,16,23-25H2,1-4H3
InChIKeyOGBOLWIXRBXHEG-UHFFFAOYSA-N
XLogP8.68
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.77
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3,4-bis(1,2-dimethylindol-3-yl)pyrrole-2,5-dione
CID 101396833
1-benzyl-3-(1-pentylindol-3-yl)-4-(1-propylindol-3-yl)pyrrole-2,5-dione
CID 11409976
benzene;9-octylcarbazole
CID 175067369
(2-methyl-1-undecylindol-3-yl)-phenylmethanone
CID 70525759
9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
5,12-dioctylquinolino[2,3-b]acridine-7,14-dione
CID 58900781
3,11,19-trioctyl-3,11,19-triazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 132584282
2-(9-hexylcarbazol-3-yl)-3,4,5-triphenylcyclopenta-2,4-dien-1-one
CID 134884813
1-benzyl-5-butylimidazo[4,5-c]quinolin-4-one
CID 3077022
9-octylcarbazol-1-ol
CID 160567195
5-benzyl-2-pentylpyrazolo[4,3-c]quinolin-3-one
CID 12016990

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(1-hexyl-2-methylindol-3-yl)-4-(2-methyl-1-propylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 1-benzyl-3-(1-hexyl-2-methylindol-3-yl)-4-(2-methyl-1-propylindol-3-yl)pyrrole-2,5-dione (CID 11250062) is 1-benzyl-3-(1-hexyl-2-methylindol-3-yl)-4-(2-methyl-1-propylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-benzyl-3-(1-hexyl-2-methylindol-3-yl)-4-(2-methyl-1-propylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-benzyl-3-(1-hexyl-2-methylindol-3-yl)-4-(2-methyl-1-propylindol-3-yl)pyrrole-2,5-dione is CCCCCCn1c(C)c(C2=C(c3c(C)n(CCC)c4ccccc34)C(=O)N(Cc3ccccc3)C2=O)c2ccccc21.
What is the InChIKey of 1-benzyl-3-(1-hexyl-2-methylindol-3-yl)-4-(2-methyl-1-propylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is OGBOLWIXRBXHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H41N3O2/c1-5-7-8-16-24-40-27(4)34(30-20-13-15-22-32(30)40)36-35(37(42)41(38(36)43)25-28-17-10-9-11-18-28)33-26(3)39(23-6-2)31-21-14-12-19-29(31)33/h9-15,17-22H,5-8,16,23-25H2,1-4H3.
What are the key properties of 1-benzyl-3-(1-hexyl-2-methylindol-3-yl)-4-(2-methyl-1-propylindol-3-yl)pyrrole-2,5-dione?
1-benzyl-3-(1-hexyl-2-methylindol-3-yl)-4-(2-methyl-1-propylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 571.77 g/mol, XLogP of 8.68, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1-hexyl-2-methylindol-3-yl)-4-(2-methyl-1-propylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 11250062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).