7-chloro-5-(2-nitrophenyl)-1-phenylindole

C20H13ClN2O2 — CID 90257458

IUPAC7-chloro-5-(2-nitrophenyl)-1-phenylindole
SMILESO=[N+]([O-])c1ccccc1-c1cc(Cl)c2c(ccn2-c2ccccc2)c1
InChIInChI=1S/C20H13ClN2O2/c21-18-13-15(17-8-4-5-9-19(17)23(24)25)12-14-10-11-22(20(14)18)16-6-2-1-3-7-16/h1-13H
InChIKeyZWDQJBHOCFAQTI-UHFFFAOYSA-N
MW348.79 g/mol
LogP5.86
Rot. Bonds3

About 7-chloro-5-(2-nitrophenyl)-1-phenylindole

7-chloro-5-(2-nitrophenyl)-1-phenylindole (PubChem CID 90257458) has the molecular formula C20H13ClN2O2 and a molecular weight of 348.79 g/mol. Its IUPAC name is 7-chloro-5-(2-nitrophenyl)-1-phenylindole.

Molecular Properties

Compound Name7-chloro-5-(2-nitrophenyl)-1-phenylindole
PubChem CID90257458
Molecular FormulaC20H13ClN2O2
Molecular Weight348.79 g/mol
Exact Mass348.07
IUPAC Name7-chloro-5-(2-nitrophenyl)-1-phenylindole
SMILESO=[N+]([O-])c1ccccc1-c1cc(Cl)c2c(ccn2-c2ccccc2)c1
InChIInChI=1S/C20H13ClN2O2/c21-18-13-15(17-8-4-5-9-19(17)23(24)25)12-14-10-11-22(20(14)18)16-6-2-1-3-7-16/h1-13H
InChIKeyZWDQJBHOCFAQTI-UHFFFAOYSA-N
XLogP5.86
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.79
LogP ≤ 55.86
H-Bond Donors ≤ 50
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

CID 15648963
CID 15648963
CID 4168947
CID 4168947
CID 674819
CID 674819
CID 826461
CID 826461
CID 896591
CID 896591
CID 2236605
CID 2236605
CID 804738
CID 804738
CID 25147051
CID 25147051
CID 25147149
CID 25147149
CID 145958653
CID 145958653
CID 145959185
CID 145959185
CID 145983988
CID 145983988

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2-nitrophenyl)-1-phenylindole?
The IUPAC name of 7-chloro-5-(2-nitrophenyl)-1-phenylindole (CID 90257458) is 7-chloro-5-(2-nitrophenyl)-1-phenylindole.
What is the SMILES notation for 7-chloro-5-(2-nitrophenyl)-1-phenylindole?
The canonical SMILES for 7-chloro-5-(2-nitrophenyl)-1-phenylindole is O=[N+]([O-])c1ccccc1-c1cc(Cl)c2c(ccn2-c2ccccc2)c1.
What is the InChIKey of 7-chloro-5-(2-nitrophenyl)-1-phenylindole?
The InChIKey is ZWDQJBHOCFAQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O2/c21-18-13-15(17-8-4-5-9-19(17)23(24)25)12-14-10-11-22(20(14)18)16-6-2-1-3-7-16/h1-13H.
What are the key properties of 7-chloro-5-(2-nitrophenyl)-1-phenylindole?
7-chloro-5-(2-nitrophenyl)-1-phenylindole has a molecular weight of 348.79 g/mol, XLogP of 5.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2-nitrophenyl)-1-phenylindole is sourced from PubChem (CID 90257458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).