[3-(2-methoxyphenyl)-2-nitrophenyl]-phenylmethanone;tridecakis((2-nitrophenyl)-phenylmethanone);pyridine

C194H137N15O43 — CID 174493034

IUPAC[3-(2-methoxyphenyl)-2-nitrophenyl]-phenylmethanone;tridecakis((2-nitrophenyl)-phenylmethanone);pyridine
SMILESCOc1ccccc1-c1cccc(C(=O)c2ccccc2)c1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].c1ccncc1
InChIInChI=1S/C20H15NO4.13C13H9NO3.C5H5N/c1-25-18-13-6-5-10-15(18)16-11-7-12-17(19(16)21(23)24)20(22)14-8-3-2-4-9-14;13*15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17;1-2-4-6-5-3-1/h2-13H,1H3;13*1-9H;1-5H
InChIKeyINFPBZHBBHVHAS-UHFFFAOYSA-N
MW3366.29 g/mol
LogP42.32
Rot. Bonds44

About [3-(2-methoxyphenyl)-2-nitrophenyl]-phenylmethanone;tridecakis((2-nitrophenyl)-phenylmethanone);pyridine

[3-(2-methoxyphenyl)-2-nitrophenyl]-phenylmethanone;tridecakis((2-nitrophenyl)-phenylmethanone);pyridine (PubChem CID 174493034) has the molecular formula C194H137N15O43 and a molecular weight of 3366.29 g/mol. Its IUPAC name is [3-(2-methoxyphenyl)-2-nitrophenyl]-phenylmethanone;tridecakis((2-nitrophenyl)-phenylmethanone);pyridine.

Molecular Properties

Compound Name[3-(2-methoxyphenyl)-2-nitrophenyl]-phenylmethanone;tridecakis((2-nitrophenyl)-phenylmethanone);pyridine
PubChem CID174493034
Molecular FormulaC194H137N15O43
Molecular Weight3366.29 g/mol
Exact Mass3363.90
IUPAC Name[3-(2-methoxyphenyl)-2-nitrophenyl]-phenylmethanone;tridecakis((2-nitrophenyl)-phenylmethanone);pyridine
SMILESCOc1ccccc1-c1cccc(C(=O)c2ccccc2)c1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].c1ccncc1
InChIInChI=1S/C20H15NO4.13C13H9NO3.C5H5N/c1-25-18-13-6-5-10-15(18)16-11-7-12-17(19(16)21(23)24)20(22)14-8-3-2-4-9-14;13*15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17;1-2-4-6-5-3-1/h2-13H,1H3;13*1-9H;1-5H
InChIKeyINFPBZHBBHVHAS-UHFFFAOYSA-N
XLogP42.32
TPSA865.06 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds44
Heavy Atoms252
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003366.29
LogP ≤ 542.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

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-(2-methoxyphenyl)-2-nitrophenyl]-phenylmethanone;tridecakis((2-nitrophenyl)-phenylmethanone);pyridine?
The IUPAC name of [3-(2-methoxyphenyl)-2-nitrophenyl]-phenylmethanone;tridecakis((2-nitrophenyl)-phenylmethanone);pyridine (CID 174493034) is [3-(2-methoxyphenyl)-2-nitrophenyl]-phenylmethanone;tridecakis((2-nitrophenyl)-phenylmethanone);pyridine.
What is the SMILES notation for [3-(2-methoxyphenyl)-2-nitrophenyl]-phenylmethanone;tridecakis((2-nitrophenyl)-phenylmethanone);pyridine?
The canonical SMILES for [3-(2-methoxyphenyl)-2-nitrophenyl]-phenylmethanone;tridecakis((2-nitrophenyl)-phenylmethanone);pyridine is COc1ccccc1-c1cccc(C(=O)c2ccccc2)c1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].c1ccncc1.
What is the InChIKey of [3-(2-methoxyphenyl)-2-nitrophenyl]-phenylmethanone;tridecakis((2-nitrophenyl)-phenylmethanone);pyridine?
The InChIKey is INFPBZHBBHVHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4.13C13H9NO3.C5H5N/c1-25-18-13-6-5-10-15(18)16-11-7-12-17(19(16)21(23)24)20(22)14-8-3-2-4-9-14;13*15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17;1-2-4-6-5-3-1/h2-13H,1H3;13*1-9H;1-5H.
What are the key properties of [3-(2-methoxyphenyl)-2-nitrophenyl]-phenylmethanone;tridecakis((2-nitrophenyl)-phenylmethanone);pyridine?
[3-(2-methoxyphenyl)-2-nitrophenyl]-phenylmethanone;tridecakis((2-nitrophenyl)-phenylmethanone);pyridine has a molecular weight of 3366.29 g/mol, XLogP of 42.32, 44 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyphenyl)-2-nitrophenyl]-phenylmethanone;tridecakis((2-nitrophenyl)-phenylmethanone);pyridine is sourced from PubChem (CID 174493034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).