1,5-dihexadecyl-3,7-dihydropyrrolo[2,3-f]indole-2,6-dione

C42H72N2O2 — CID 118343384

IUPAC1,5-dihexadecyl-3,7-dihydropyrrolo[2,3-f]indole-2,6-dione
SMILESCCCCCCCCCCCCCCCCN1C(=O)Cc2cc3c(cc21)CC(=O)N3CCCCCCCCCCCCCCCC
InChIInChI=1S/C42H72N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-43-39-33-38-36-42(46)44(40(38)34-37(39)35-41(43)45)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34H,3-32,35-36H2,1-2H3
InChIKeyWFCTYNCVWIVGBK-UHFFFAOYSA-N
MW637.05 g/mol
LogP12.43
Rot. Bonds30

About 1,5-dihexadecyl-3,7-dihydropyrrolo[2,3-f]indole-2,6-dione

1,5-dihexadecyl-3,7-dihydropyrrolo[2,3-f]indole-2,6-dione (PubChem CID 118343384) has the molecular formula C42H72N2O2 and a molecular weight of 637.05 g/mol. Its IUPAC name is 1,5-dihexadecyl-3,7-dihydropyrrolo[2,3-f]indole-2,6-dione.

Molecular Properties

Compound Name1,5-dihexadecyl-3,7-dihydropyrrolo[2,3-f]indole-2,6-dione
PubChem CID118343384
Molecular FormulaC42H72N2O2
Molecular Weight637.05 g/mol
Exact Mass636.56
IUPAC Name1,5-dihexadecyl-3,7-dihydropyrrolo[2,3-f]indole-2,6-dione
SMILESCCCCCCCCCCCCCCCCN1C(=O)Cc2cc3c(cc21)CC(=O)N3CCCCCCCCCCCCCCCC
InChIInChI=1S/C42H72N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-43-39-33-38-36-42(46)44(40(38)34-37(39)35-41(43)45)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34H,3-32,35-36H2,1-2H3
InChIKeyWFCTYNCVWIVGBK-UHFFFAOYSA-N
XLogP12.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds30
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.05
LogP ≤ 512.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,5-dihexadecyl-3,7-dihydropyrrolo[2,3-f]indole-2,6-dione with MolForge

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Related Compounds

5-amino-1-decyl-3H-indol-2-one
CID 62221874
5-amino-1-nonyl-3H-indol-2-one
CID 43446434
5-iodo-1-nonyl-3H-indol-2-one
CID 79784933
1-pentylazetidine-2,4-dione
CID 69124184
1-(5-bromopentyl)-5-methyl-3H-indol-2-one
CID 57128924
1-hexyl-3,4-dihydroquinolin-2-one
CID 91805726
N-(1-butyl-2-oxo-3H-indol-5-yl)-N-methylethanesulfonamide
CID 125470934
1-hexyl-7-iodo-4,5-dihydro-3H-1-benzazepin-2-one
CID 79787898
1-hexyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711273
1-undecylpiperidine-2,6-dione
CID 91705281
1,3-diheptyl-1,3-diazetidine-2,4-dione
CID 18730690
1-(4-aminobutyl)-5-propanoyl-3H-indol-2-one
CID 84758277

Frequently Asked Questions

What is the IUPAC name of 1,5-dihexadecyl-3,7-dihydropyrrolo[2,3-f]indole-2,6-dione?
The IUPAC name of 1,5-dihexadecyl-3,7-dihydropyrrolo[2,3-f]indole-2,6-dione (CID 118343384) is 1,5-dihexadecyl-3,7-dihydropyrrolo[2,3-f]indole-2,6-dione.
What is the SMILES notation for 1,5-dihexadecyl-3,7-dihydropyrrolo[2,3-f]indole-2,6-dione?
The canonical SMILES for 1,5-dihexadecyl-3,7-dihydropyrrolo[2,3-f]indole-2,6-dione is CCCCCCCCCCCCCCCCN1C(=O)Cc2cc3c(cc21)CC(=O)N3CCCCCCCCCCCCCCCC.
What is the InChIKey of 1,5-dihexadecyl-3,7-dihydropyrrolo[2,3-f]indole-2,6-dione?
The InChIKey is WFCTYNCVWIVGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H72N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-43-39-33-38-36-42(46)44(40(38)34-37(39)35-41(43)45)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34H,3-32,35-36H2,1-2H3.
What are the key properties of 1,5-dihexadecyl-3,7-dihydropyrrolo[2,3-f]indole-2,6-dione?
1,5-dihexadecyl-3,7-dihydropyrrolo[2,3-f]indole-2,6-dione has a molecular weight of 637.05 g/mol, XLogP of 12.43, 30 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihexadecyl-3,7-dihydropyrrolo[2,3-f]indole-2,6-dione is sourced from PubChem (CID 118343384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).