(5-nitro-1-benzofuran-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone

C24H16N2O5 — CID 142529081

IUPAC(5-nitro-1-benzofuran-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
SMILESO=C(c1cc2cc(OCc3ccccc3)ccc2[nH]1)c1cc2cc([N+](=O)[O-])ccc2o1
InChIInChI=1S/C24H16N2O5/c27-24(23-13-17-10-18(26(28)29)6-9-22(17)31-23)21-12-16-11-19(7-8-20(16)25-21)30-14-15-4-2-1-3-5-15/h1-13,25H,14H2
InChIKeyGHVXXHOOEPIFJV-UHFFFAOYSA-N
MW412.40 g/mol
LogP5.63
Rot. Bonds6

About (5-nitro-1-benzofuran-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone

(5-nitro-1-benzofuran-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone (PubChem CID 142529081) has the molecular formula C24H16N2O5 and a molecular weight of 412.40 g/mol. Its IUPAC name is (5-nitro-1-benzofuran-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(5-nitro-1-benzofuran-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
PubChem CID142529081
Molecular FormulaC24H16N2O5
Molecular Weight412.40 g/mol
Exact Mass412.11
IUPAC Name(5-nitro-1-benzofuran-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
SMILESO=C(c1cc2cc(OCc3ccccc3)ccc2[nH]1)c1cc2cc([N+](=O)[O-])ccc2o1
InChIInChI=1S/C24H16N2O5/c27-24(23-13-17-10-18(26(28)29)6-9-22(17)31-23)21-12-16-11-19(7-8-20(16)25-21)30-14-15-4-2-1-3-5-15/h1-13,25H,14H2
InChIKeyGHVXXHOOEPIFJV-UHFFFAOYSA-N
XLogP5.63
TPSA98.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.40
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

bis(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11698527
benzyl 5-nitro-1-benzofuran-2-carboxylate
CID 77230405
N-[(3-nitrophenyl)methylideneamino]-5-phenylmethoxy-1H-indole-2-carboxamide
CID 3889062
2-hydroxy-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone
CID 172736590
(6-methyl-1H-indol-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11625102
(2-methoxyphenyl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 10970353
2-nitro-7-phenylmethoxy-10H-acridin-9-one
CID 66572851
N-[4-[(4-chlorophenyl)methoxy]phenyl]-5-nitro-1H-indole-2-carboxamide
CID 127051118
(4-methoxyphenyl)-(5-nitro-1-benzofuran-2-yl)methanone
CID 2728228
(5-methyl-2-phenyl-1,3-oxazol-4-yl)-(5-nitro-1-benzofuran-2-yl)methanone
CID 10497900
(4-hydroxyphenyl)-(5-nitro-1-benzofuran-2-yl)methanone
CID 154334241
5-nitro-1-benzofuran-2-carbohydrazide
CID 30772172

Frequently Asked Questions

What is the IUPAC name of (5-nitro-1-benzofuran-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone?
The IUPAC name of (5-nitro-1-benzofuran-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone (CID 142529081) is (5-nitro-1-benzofuran-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for (5-nitro-1-benzofuran-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone?
The canonical SMILES for (5-nitro-1-benzofuran-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone is O=C(c1cc2cc(OCc3ccccc3)ccc2[nH]1)c1cc2cc([N+](=O)[O-])ccc2o1.
What is the InChIKey of (5-nitro-1-benzofuran-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone?
The InChIKey is GHVXXHOOEPIFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O5/c27-24(23-13-17-10-18(26(28)29)6-9-22(17)31-23)21-12-16-11-19(7-8-20(16)25-21)30-14-15-4-2-1-3-5-15/h1-13,25H,14H2.
What are the key properties of (5-nitro-1-benzofuran-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone?
(5-nitro-1-benzofuran-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone has a molecular weight of 412.40 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nitro-1-benzofuran-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 142529081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).