5-(4-nitrophenoxy)-6-(1H-pyrrol-3-yl)-1H-indole

C18H13N3O3 — CID 141496235

IUPAC5-(4-nitrophenoxy)-6-(1H-pyrrol-3-yl)-1H-indole
SMILESO=[N+]([O-])c1ccc(Oc2cc3cc[nH]c3cc2-c2cc[nH]c2)cc1
InChIInChI=1S/C18H13N3O3/c22-21(23)14-1-3-15(4-2-14)24-18-9-12-6-8-20-17(12)10-16(18)13-5-7-19-11-13/h1-11,19-20H
InChIKeyPXTKKGMSAMPXGD-UHFFFAOYSA-N
MW319.32 g/mol
LogP4.86
Rot. Bonds4

About 5-(4-nitrophenoxy)-6-(1H-pyrrol-3-yl)-1H-indole

5-(4-nitrophenoxy)-6-(1H-pyrrol-3-yl)-1H-indole (PubChem CID 141496235) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is 5-(4-nitrophenoxy)-6-(1H-pyrrol-3-yl)-1H-indole.

Molecular Properties

Compound Name5-(4-nitrophenoxy)-6-(1H-pyrrol-3-yl)-1H-indole
PubChem CID141496235
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC Name5-(4-nitrophenoxy)-6-(1H-pyrrol-3-yl)-1H-indole
SMILESO=[N+]([O-])c1ccc(Oc2cc3cc[nH]c3cc2-c2cc[nH]c2)cc1
InChIInChI=1S/C18H13N3O3/c22-21(23)14-1-3-15(4-2-14)24-18-9-12-6-8-20-17(12)10-16(18)13-5-7-19-11-13/h1-11,19-20H
InChIKeyPXTKKGMSAMPXGD-UHFFFAOYSA-N
XLogP4.86
TPSA83.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1H-indole;5-nitro-1H-indole
CID 172790290
(4-nitrophenyl) N-(1H-indol-5-yl)carbamate
CID 57343439
4-methoxy-2-(4-nitrophenoxy)-1-phenylbenzene
CID 155192060
1,4-dimethyl-2-(4-nitrophenoxy)benzene
CID 22164458
5-deuterio-6-nitro-1H-indole
CID 88955440
2-(4-nitrophenoxy)cyclohepta-2,4,6-trien-1-one
CID 71333814
tert-butyl formate;5-nitro-1H-indole
CID 175288118
4-(5-nitro-2-phenylphenoxy)phenol
CID 70376187
1-(4-nitrophenoxy)-9H-carbazole
CID 150278984
N-methyl-1-[2-(4-nitrophenoxy)phenyl]methanamine
CID 54915610
1,6-bis(4-nitrophenoxy)naphthalene
CID 54368809
2-(4-nitrophenoxy)-1H-imidazole
CID 123256128

Frequently Asked Questions

What is the IUPAC name of 5-(4-nitrophenoxy)-6-(1H-pyrrol-3-yl)-1H-indole?
The IUPAC name of 5-(4-nitrophenoxy)-6-(1H-pyrrol-3-yl)-1H-indole (CID 141496235) is 5-(4-nitrophenoxy)-6-(1H-pyrrol-3-yl)-1H-indole.
What is the SMILES notation for 5-(4-nitrophenoxy)-6-(1H-pyrrol-3-yl)-1H-indole?
The canonical SMILES for 5-(4-nitrophenoxy)-6-(1H-pyrrol-3-yl)-1H-indole is O=[N+]([O-])c1ccc(Oc2cc3cc[nH]c3cc2-c2cc[nH]c2)cc1.
What is the InChIKey of 5-(4-nitrophenoxy)-6-(1H-pyrrol-3-yl)-1H-indole?
The InChIKey is PXTKKGMSAMPXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3/c22-21(23)14-1-3-15(4-2-14)24-18-9-12-6-8-20-17(12)10-16(18)13-5-7-19-11-13/h1-11,19-20H.
What are the key properties of 5-(4-nitrophenoxy)-6-(1H-pyrrol-3-yl)-1H-indole?
5-(4-nitrophenoxy)-6-(1H-pyrrol-3-yl)-1H-indole has a molecular weight of 319.32 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-nitrophenoxy)-6-(1H-pyrrol-3-yl)-1H-indole is sourced from PubChem (CID 141496235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).