11-(3-nitrocarbazol-9-yl)undecanoic acid

C23H28N2O4 — CID 51056130

IUPAC11-(3-nitrocarbazol-9-yl)undecanoic acid
SMILESO=C(O)CCCCCCCCCCn1c2ccccc2c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C23H28N2O4/c26-23(27)13-7-5-3-1-2-4-6-10-16-24-21-12-9-8-11-19(21)20-17-18(25(28)29)14-15-22(20)24/h8-9,11-12,14-15,17H,1-7,10,13,16H2,(H,26,27)
InChIKeyQDLNHHSWJBQIJA-UHFFFAOYSA-N
MW396.49 g/mol
LogP6.30
Rot. Bonds12

About 11-(3-nitrocarbazol-9-yl)undecanoic acid

11-(3-nitrocarbazol-9-yl)undecanoic acid (PubChem CID 51056130) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 11-(3-nitrocarbazol-9-yl)undecanoic acid.

Molecular Properties

Compound Name11-(3-nitrocarbazol-9-yl)undecanoic acid
PubChem CID51056130
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name11-(3-nitrocarbazol-9-yl)undecanoic acid
SMILESO=C(O)CCCCCCCCCCn1c2ccccc2c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C23H28N2O4/c26-23(27)13-7-5-3-1-2-4-6-10-16-24-21-12-9-8-11-19(21)20-17-18(25(28)29)14-15-22(20)24/h8-9,11-12,14-15,17H,1-7,10,13,16H2,(H,26,27)
InChIKeyQDLNHHSWJBQIJA-UHFFFAOYSA-N
XLogP6.30
TPSA85.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

9-(carbazol-9-ylmethyl)-3-nitrocarbazole
CID 15716134
trimethyl-[3-(3-nitrocarbazol-9-yl)propyl]silane
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CID 15621619
2-(3,6-dinitrocarbazol-9-yl)-1-phenylethanone
CID 23932157
4-(5-nitro-2-oxo-3H-benzimidazol-1-yl)butanoic acid
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6-(12-ethyl-7,14-dioxoquinolino[2,3-b]acridin-5-yl)hexanoic acid
CID 67024047
6-(2-bromo-9-oxoacridin-10-yl)hexanoic acid
CID 10194105
3-iodo-6-nitro-9-tetradecylcarbazole
CID 71348476
7-(9-oxo-2-sulfoacridin-10-yl)heptanoic acid
CID 87872408
3-nitro-9-phenylcarbazole;9-phenylcarbazole
CID 159323942
9-benzyl-3,6-dinitrocarbazole
CID 5059102
5-(5-nitroindol-1-yl)pentanoic acid
CID 21202644

Frequently Asked Questions

What is the IUPAC name of 11-(3-nitrocarbazol-9-yl)undecanoic acid?
The IUPAC name of 11-(3-nitrocarbazol-9-yl)undecanoic acid (CID 51056130) is 11-(3-nitrocarbazol-9-yl)undecanoic acid.
What is the SMILES notation for 11-(3-nitrocarbazol-9-yl)undecanoic acid?
The canonical SMILES for 11-(3-nitrocarbazol-9-yl)undecanoic acid is O=C(O)CCCCCCCCCCn1c2ccccc2c2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 11-(3-nitrocarbazol-9-yl)undecanoic acid?
The InChIKey is QDLNHHSWJBQIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c26-23(27)13-7-5-3-1-2-4-6-10-16-24-21-12-9-8-11-19(21)20-17-18(25(28)29)14-15-22(20)24/h8-9,11-12,14-15,17H,1-7,10,13,16H2,(H,26,27).
What are the key properties of 11-(3-nitrocarbazol-9-yl)undecanoic acid?
11-(3-nitrocarbazol-9-yl)undecanoic acid has a molecular weight of 396.49 g/mol, XLogP of 6.30, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3-nitrocarbazol-9-yl)undecanoic acid is sourced from PubChem (CID 51056130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).