7-(2-chloro-6-nitrophenyl)-2,3-diphenyl-1H-indole

C26H17ClN2O2 — CID 156627187

IUPAC7-(2-chloro-6-nitrophenyl)-2,3-diphenyl-1H-indole
SMILESO=[N+]([O-])c1cccc(Cl)c1-c1cccc2c(-c3ccccc3)c(-c3ccccc3)[nH]c12
InChIInChI=1S/C26H17ClN2O2/c27-21-15-8-16-22(29(30)31)24(21)20-14-7-13-19-23(17-9-3-1-4-10-17)25(28-26(19)20)18-11-5-2-6-12-18/h1-16,28H
InChIKeyZMLSTKDNFFNNSF-UHFFFAOYSA-N
MW424.89 g/mol
LogP7.73
Rot. Bonds4

About 7-(2-chloro-6-nitrophenyl)-2,3-diphenyl-1H-indole

7-(2-chloro-6-nitrophenyl)-2,3-diphenyl-1H-indole (PubChem CID 156627187) has the molecular formula C26H17ClN2O2 and a molecular weight of 424.89 g/mol. Its IUPAC name is 7-(2-chloro-6-nitrophenyl)-2,3-diphenyl-1H-indole.

Molecular Properties

Compound Name7-(2-chloro-6-nitrophenyl)-2,3-diphenyl-1H-indole
PubChem CID156627187
Molecular FormulaC26H17ClN2O2
Molecular Weight424.89 g/mol
Exact Mass424.10
IUPAC Name7-(2-chloro-6-nitrophenyl)-2,3-diphenyl-1H-indole
SMILESO=[N+]([O-])c1cccc(Cl)c1-c1cccc2c(-c3ccccc3)c(-c3ccccc3)[nH]c12
InChIInChI=1S/C26H17ClN2O2/c27-21-15-8-16-22(29(30)31)24(21)20-14-7-13-19-23(17-9-3-1-4-10-17)25(28-26(19)20)18-11-5-2-6-12-18/h1-16,28H
InChIKeyZMLSTKDNFFNNSF-UHFFFAOYSA-N
XLogP7.73
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.89
LogP ≤ 57.73
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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Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-6-nitrophenyl)-2,3-diphenyl-1H-indole?
The IUPAC name of 7-(2-chloro-6-nitrophenyl)-2,3-diphenyl-1H-indole (CID 156627187) is 7-(2-chloro-6-nitrophenyl)-2,3-diphenyl-1H-indole.
What is the SMILES notation for 7-(2-chloro-6-nitrophenyl)-2,3-diphenyl-1H-indole?
The canonical SMILES for 7-(2-chloro-6-nitrophenyl)-2,3-diphenyl-1H-indole is O=[N+]([O-])c1cccc(Cl)c1-c1cccc2c(-c3ccccc3)c(-c3ccccc3)[nH]c12.
What is the InChIKey of 7-(2-chloro-6-nitrophenyl)-2,3-diphenyl-1H-indole?
The InChIKey is ZMLSTKDNFFNNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClN2O2/c27-21-15-8-16-22(29(30)31)24(21)20-14-7-13-19-23(17-9-3-1-4-10-17)25(28-26(19)20)18-11-5-2-6-12-18/h1-16,28H.
What are the key properties of 7-(2-chloro-6-nitrophenyl)-2,3-diphenyl-1H-indole?
7-(2-chloro-6-nitrophenyl)-2,3-diphenyl-1H-indole has a molecular weight of 424.89 g/mol, XLogP of 7.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-6-nitrophenyl)-2,3-diphenyl-1H-indole is sourced from PubChem (CID 156627187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).