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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Related Compounds

2-[2-(2-chloro-6-nitrophenyl)phenyl]naphthalene
CID 171044125
4-chloro-2-nitro-1-phenyl-9H-carbazole
CID 150980162
5-(7-nitro-3-phenyl-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione
CID 139220756
1,3,5-trichloro-2-(2-chloro-6-nitrophenyl)benzene
CID 134621032
3-(2-nitrophenyl)-2-phenyl-1H-indole-5-carbonitrile
CID 102257074
22-(3,5-diphenylphenyl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(21),2,4,6,8,10,12,14(19),15,17,22,24-dodecaen-18-amine;18-(3,5-diphenylphenyl)-22-nitro-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(21),2,4,6,8,10,12,14(19),15,17,22,24-dodecaene
CID 165081607
1,1'-biphenyl;1-nitronaphthalene
CID 174805071
7-chloro-5-(2-nitrophenyl)-1H-indole
CID 90257456
1-(2,6-dichlorophenyl)-2-fluoro-3-nitrobenzene
CID 119007627
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978
1-methyl-3-nitro-2-phenylbenzene
CID 12733092
sodium;hydride;3-nitro-2-phenylphenol
CID 175105710

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).