(2-nitrophenyl)-phenylmethanone;1-phenylindole

C27H20N2O3 — CID 174849750

IUPAC(2-nitrophenyl)-phenylmethanone;1-phenylindole
SMILESO=C(c1ccccc1)c1ccccc1[N+](=O)[O-].c1ccc(-n2ccc3ccccc32)cc1
InChIInChI=1S/C14H11N.C13H9NO3/c1-2-7-13(8-3-1)15-11-10-12-6-4-5-9-14(12)15;15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-11H;1-9H
InChIKeyQZKQGGNPAXFTNO-UHFFFAOYSA-N
MW420.47 g/mol
LogP6.46
Rot. Bonds4

About (2-nitrophenyl)-phenylmethanone;1-phenylindole

(2-nitrophenyl)-phenylmethanone;1-phenylindole (PubChem CID 174849750) has the molecular formula C27H20N2O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is (2-nitrophenyl)-phenylmethanone;1-phenylindole.

Molecular Properties

Compound Name(2-nitrophenyl)-phenylmethanone;1-phenylindole
PubChem CID174849750
Molecular FormulaC27H20N2O3
Molecular Weight420.47 g/mol
Exact Mass420.15
IUPAC Name(2-nitrophenyl)-phenylmethanone;1-phenylindole
SMILESO=C(c1ccccc1)c1ccccc1[N+](=O)[O-].c1ccc(-n2ccc3ccccc32)cc1
InChIInChI=1S/C14H11N.C13H9NO3/c1-2-7-13(8-3-1)15-11-10-12-6-4-5-9-14(12)15;15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-11H;1-9H
InChIKeyQZKQGGNPAXFTNO-UHFFFAOYSA-N
XLogP6.46
TPSA65.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

dihydroxy(oxo)phosphanium;(2-nitrophenyl)-phenylmethanone
CID 174984132
acetic acid;(2-nitrophenyl)-phenylmethanone
CID 172806545
methanimine;(2-nitrophenyl)-phenylmethanone
CID 174799548
azane;carbamic acid;(2-nitrophenyl)-phenylmethanone
CID 174845274
(2-nitrophenyl)-phenylmethanone;2-oxopropanoic acid
CID 174621334
2-aminoacetic acid;(2-nitrophenyl)-phenylmethanone
CID 174848251
acetonitrile;(2-nitrophenyl)-phenylmethanone
CID 161021421
isothiocyanic acid;(2-nitrophenyl)-phenylmethanone
CID 174455888
(2-nitrophenyl)-phenylmethanone;phenyl hydrogen carbonate
CID 174458714
(2-nitrophenyl)-phenylmethanone;propan-1-amine
CID 20502317
naphthalen-1-yl-(2-nitrophenyl)methanone
CID 22366378
(2-nitrophenyl)-phenylmethanone;1H-pyrazole
CID 161134312

Frequently Asked Questions

What is the IUPAC name of (2-nitrophenyl)-phenylmethanone;1-phenylindole?
The IUPAC name of (2-nitrophenyl)-phenylmethanone;1-phenylindole (CID 174849750) is (2-nitrophenyl)-phenylmethanone;1-phenylindole.
What is the SMILES notation for (2-nitrophenyl)-phenylmethanone;1-phenylindole?
The canonical SMILES for (2-nitrophenyl)-phenylmethanone;1-phenylindole is O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].c1ccc(-n2ccc3ccccc32)cc1.
What is the InChIKey of (2-nitrophenyl)-phenylmethanone;1-phenylindole?
The InChIKey is QZKQGGNPAXFTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N.C13H9NO3/c1-2-7-13(8-3-1)15-11-10-12-6-4-5-9-14(12)15;15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-11H;1-9H.
What are the key properties of (2-nitrophenyl)-phenylmethanone;1-phenylindole?
(2-nitrophenyl)-phenylmethanone;1-phenylindole has a molecular weight of 420.47 g/mol, XLogP of 6.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrophenyl)-phenylmethanone;1-phenylindole is sourced from PubChem (CID 174849750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).