7-(3-nitronaphthalen-2-yl)-1H-indole

C18H12N2O2 — CID 142729174

IUPAC7-(3-nitronaphthalen-2-yl)-1H-indole
SMILESO=[N+]([O-])c1cc2ccccc2cc1-c1cccc2cc[nH]c12
InChIInChI=1S/C18H12N2O2/c21-20(22)17-11-14-5-2-1-4-13(14)10-16(17)15-7-3-6-12-8-9-19-18(12)15/h1-11,19H
InChIKeyWMOFGCXLXOBMJO-UHFFFAOYSA-N
MW288.31 g/mol
LogP4.90
Rot. Bonds2

About 7-(3-nitronaphthalen-2-yl)-1H-indole

7-(3-nitronaphthalen-2-yl)-1H-indole (PubChem CID 142729174) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 7-(3-nitronaphthalen-2-yl)-1H-indole.

Molecular Properties

Compound Name7-(3-nitronaphthalen-2-yl)-1H-indole
PubChem CID142729174
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name7-(3-nitronaphthalen-2-yl)-1H-indole
SMILESO=[N+]([O-])c1cc2ccccc2cc1-c1cccc2cc[nH]c12
InChIInChI=1S/C18H12N2O2/c21-20(22)17-11-14-5-2-1-4-13(14)10-16(17)15-7-3-6-12-8-9-19-18(12)15/h1-11,19H
InChIKeyWMOFGCXLXOBMJO-UHFFFAOYSA-N
XLogP4.90
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-(3-nitronaphthalen-2-yl)-1H-indole
CID 142729171
7-nitro-1H-indole;2-nitrophenol
CID 159038784
7-chloro-5-(2-nitrophenyl)-1H-indole
CID 90257456
2,3-dinitrohexacene
CID 101108857
5-nitro-7-(4-phenylphenyl)-1H-indole
CID 90152990
7-[6-[6-(1H-indol-7-yl)-2-pyridinyl]-2-pyridinyl]-1H-indole
CID 145302463
3-nitronaphthalen-2-ol
CID 15859501
1-(5-fluoro-2-nitrophenyl)naphthalene
CID 121246133
3-naphthalen-1-yl-4-nitrophenol
CID 57178069
4-chloro-N-(1H-indol-7-ylmethyl)-3-nitroaniline
CID 102909708
5-(1H-indol-7-yl)-1H-pyrimidine-2,4-dione
CID 56624008
7-[3-(trifluoromethoxy)phenyl]-1H-indole
CID 59107903

Frequently Asked Questions

What is the IUPAC name of 7-(3-nitronaphthalen-2-yl)-1H-indole?
The IUPAC name of 7-(3-nitronaphthalen-2-yl)-1H-indole (CID 142729174) is 7-(3-nitronaphthalen-2-yl)-1H-indole.
What is the SMILES notation for 7-(3-nitronaphthalen-2-yl)-1H-indole?
The canonical SMILES for 7-(3-nitronaphthalen-2-yl)-1H-indole is O=[N+]([O-])c1cc2ccccc2cc1-c1cccc2cc[nH]c12.
What is the InChIKey of 7-(3-nitronaphthalen-2-yl)-1H-indole?
The InChIKey is WMOFGCXLXOBMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c21-20(22)17-11-14-5-2-1-4-13(14)10-16(17)15-7-3-6-12-8-9-19-18(12)15/h1-11,19H.
What are the key properties of 7-(3-nitronaphthalen-2-yl)-1H-indole?
7-(3-nitronaphthalen-2-yl)-1H-indole has a molecular weight of 288.31 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-nitronaphthalen-2-yl)-1H-indole is sourced from PubChem (CID 142729174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).