6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline

C36H22N4O4 — CID 10650785

IUPAC6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline
SMILESO=[N+]([O-])c1ccc2nc(-c3cccc(-c4cc(-c5ccccc5)c5cc([N+](=O)[O-])ccc5n4)c3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C36H22N4O4/c41-39(42)27-14-16-33-31(19-27)29(23-8-3-1-4-9-23)21-35(37-33)25-12-7-13-26(18-25)36-22-30(24-10-5-2-6-11-24)32-20-28(40(43)44)15-17-34(32)38-36/h1-22H
InChIKeySECBOYNXGAYIGX-UHFFFAOYSA-N
MW574.60 g/mol
LogP9.27
Rot. Bonds6

About 6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline

6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline (PubChem CID 10650785) has the molecular formula C36H22N4O4 and a molecular weight of 574.60 g/mol. Its IUPAC name is 6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline.

Molecular Properties

Compound Name6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline
PubChem CID10650785
Molecular FormulaC36H22N4O4
Molecular Weight574.60 g/mol
Exact Mass574.16
IUPAC Name6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline
SMILESO=[N+]([O-])c1ccc2nc(-c3cccc(-c4cc(-c5ccccc5)c5cc([N+](=O)[O-])ccc5n4)c3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C36H22N4O4/c41-39(42)27-14-16-33-31(19-27)29(23-8-3-1-4-9-23)21-35(37-33)25-12-7-13-26(18-25)36-22-30(24-10-5-2-6-11-24)32-20-28(40(43)44)15-17-34(32)38-36/h1-22H
InChIKeySECBOYNXGAYIGX-UHFFFAOYSA-N
XLogP9.27
TPSA112.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.60
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline?
The IUPAC name of 6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline (CID 10650785) is 6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline.
What is the SMILES notation for 6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline?
The canonical SMILES for 6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline is O=[N+]([O-])c1ccc2nc(-c3cccc(-c4cc(-c5ccccc5)c5cc([N+](=O)[O-])ccc5n4)c3)cc(-c3ccccc3)c2c1.
What is the InChIKey of 6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline?
The InChIKey is SECBOYNXGAYIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4O4/c41-39(42)27-14-16-33-31(19-27)29(23-8-3-1-4-9-23)21-35(37-33)25-12-7-13-26(18-25)36-22-30(24-10-5-2-6-11-24)32-20-28(40(43)44)15-17-34(32)38-36/h1-22H.
What are the key properties of 6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline?
6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline has a molecular weight of 574.60 g/mol, XLogP of 9.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline is sourced from PubChem (CID 10650785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).