1-nonyl-7-phenylindole-2,3-dione

C23H27NO2 — CID 508422

IUPAC1-nonyl-7-phenylindole-2,3-dione
SMILESCCCCCCCCCN1C(=O)C(=O)c2cccc(-c3ccccc3)c21
InChIInChI=1S/C23H27NO2/c1-2-3-4-5-6-7-11-17-24-21-19(18-13-9-8-10-14-18)15-12-16-20(21)22(25)23(24)26/h8-10,12-16H,2-7,11,17H2,1H3
InChIKeyAEQJGHYAIWZFJM-UHFFFAOYSA-N
MW349.47 g/mol
LogP5.63
Rot. Bonds9

About 1-nonyl-7-phenylindole-2,3-dione

1-nonyl-7-phenylindole-2,3-dione (PubChem CID 508422) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 1-nonyl-7-phenylindole-2,3-dione.

Molecular Properties

Compound Name1-nonyl-7-phenylindole-2,3-dione
PubChem CID508422
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name1-nonyl-7-phenylindole-2,3-dione
SMILESCCCCCCCCCN1C(=O)C(=O)c2cccc(-c3ccccc3)c21
InChIInChI=1S/C23H27NO2/c1-2-3-4-5-6-7-11-17-24-21-19(18-13-9-8-10-14-18)15-12-16-20(21)22(25)23(24)26/h8-10,12-16H,2-7,11,17H2,1H3
InChIKeyAEQJGHYAIWZFJM-UHFFFAOYSA-N
XLogP5.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.47
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-1-pentylindole-2,3-dione
CID 61356330
2-dodecyl-4-phenylisoindole-1,3-dione
CID 70429574
1-heptyl-6,7-dimethylindole-2,3-dione
CID 61355246
1-(6-hydroxyhexyl)-7-methylindole-2,3-dione
CID 107704083
7,18-dioctyl-10,15,21,25-tetraphenyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
CID 102107213
7-bromo-1-(5-hydroxypentyl)indole-2,3-dione
CID 62226920
5,7-dibromo-1-octylindole-2,3-dione
CID 4730303
4-(7-methyl-2,3-dioxoindol-1-yl)butanoic acid
CID 61147180
1-[4-[2,3-dioxo-7-(trifluoromethyl)indol-1-yl]butyl]-7-(trifluoromethyl)indole-2,3-dione
CID 169008038
7-chloro-1-(5-chloropentyl)indole-2,3-dione
CID 61355973
2-(5-pentoxypentyl)isoindole-1,3-dione
CID 139959537
1,1'-biphenyl;1-(6-bromohexyl)indole-2,3-dione
CID 175135150

Frequently Asked Questions

What is the IUPAC name of 1-nonyl-7-phenylindole-2,3-dione?
The IUPAC name of 1-nonyl-7-phenylindole-2,3-dione (CID 508422) is 1-nonyl-7-phenylindole-2,3-dione.
What is the SMILES notation for 1-nonyl-7-phenylindole-2,3-dione?
The canonical SMILES for 1-nonyl-7-phenylindole-2,3-dione is CCCCCCCCCN1C(=O)C(=O)c2cccc(-c3ccccc3)c21.
What is the InChIKey of 1-nonyl-7-phenylindole-2,3-dione?
The InChIKey is AEQJGHYAIWZFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-2-3-4-5-6-7-11-17-24-21-19(18-13-9-8-10-14-18)15-12-16-20(21)22(25)23(24)26/h8-10,12-16H,2-7,11,17H2,1H3.
What are the key properties of 1-nonyl-7-phenylindole-2,3-dione?
1-nonyl-7-phenylindole-2,3-dione has a molecular weight of 349.47 g/mol, XLogP of 5.63, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonyl-7-phenylindole-2,3-dione is sourced from PubChem (CID 508422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).