3-[1H-indol-3-yl-(2-nitrophenyl)methyl]-1H-indole

C23H17N3O2 — CID 2940777

IUPAC3-[1H-indol-3-yl-(2-nitrophenyl)methyl]-1H-indole
SMILESO=[N+]([O-])c1ccccc1C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C23H17N3O2/c27-26(28)22-12-6-3-9-17(22)23(18-13-24-20-10-4-1-7-15(18)20)19-14-25-21-11-5-2-8-16(19)21/h1-14,23-25H
InChIKeyJHFRGGQERATAMF-UHFFFAOYSA-N
MW367.41 g/mol
LogP5.74
Rot. Bonds4

About 3-[1H-indol-3-yl-(2-nitrophenyl)methyl]-1H-indole

3-[1H-indol-3-yl-(2-nitrophenyl)methyl]-1H-indole (PubChem CID 2940777) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-[1H-indol-3-yl-(2-nitrophenyl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[1H-indol-3-yl-(2-nitrophenyl)methyl]-1H-indole
PubChem CID2940777
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC Name3-[1H-indol-3-yl-(2-nitrophenyl)methyl]-1H-indole
SMILESO=[N+]([O-])c1ccccc1C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C23H17N3O2/c27-26(28)22-12-6-3-9-17(22)23(18-13-24-20-10-4-1-7-15(18)20)19-14-25-21-11-5-2-8-16(19)21/h1-14,23-25H
InChIKeyJHFRGGQERATAMF-UHFFFAOYSA-N
XLogP5.74
TPSA74.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.41
LogP ≤ 55.74
H-Bond Donors ≤ 52
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 3-[1H-indol-3-yl-(2-nitrophenyl)methyl]-1H-indole?
The IUPAC name of 3-[1H-indol-3-yl-(2-nitrophenyl)methyl]-1H-indole (CID 2940777) is 3-[1H-indol-3-yl-(2-nitrophenyl)methyl]-1H-indole.
What is the SMILES notation for 3-[1H-indol-3-yl-(2-nitrophenyl)methyl]-1H-indole?
The canonical SMILES for 3-[1H-indol-3-yl-(2-nitrophenyl)methyl]-1H-indole is O=[N+]([O-])c1ccccc1C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.
What is the InChIKey of 3-[1H-indol-3-yl-(2-nitrophenyl)methyl]-1H-indole?
The InChIKey is JHFRGGQERATAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2/c27-26(28)22-12-6-3-9-17(22)23(18-13-24-20-10-4-1-7-15(18)20)19-14-25-21-11-5-2-8-16(19)21/h1-14,23-25H.
What are the key properties of 3-[1H-indol-3-yl-(2-nitrophenyl)methyl]-1H-indole?
3-[1H-indol-3-yl-(2-nitrophenyl)methyl]-1H-indole has a molecular weight of 367.41 g/mol, XLogP of 5.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1H-indol-3-yl-(2-nitrophenyl)methyl]-1H-indole is sourced from PubChem (CID 2940777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).