1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene

C36H24N2O4 — CID 102592061

IUPAC1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
SMILESO=[N+]([O-])c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2-c2ccccc2-c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C36H24N2O4/c39-37(40)27-21-17-25(18-22-27)29-9-1-3-11-31(29)33-13-5-7-15-35(33)36-16-8-6-14-34(36)32-12-4-2-10-30(32)26-19-23-28(24-20-26)38(41)42/h1-24H
InChIKeyKGNKUVLHKJTNEL-UHFFFAOYSA-N
MW548.60 g/mol
LogP9.84
Rot. Bonds7

About 1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene

1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene (PubChem CID 102592061) has the molecular formula C36H24N2O4 and a molecular weight of 548.60 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene.

Molecular Properties

Compound Name1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
PubChem CID102592061
Molecular FormulaC36H24N2O4
Molecular Weight548.60 g/mol
Exact Mass548.17
IUPAC Name1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
SMILESO=[N+]([O-])c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2-c2ccccc2-c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C36H24N2O4/c39-37(40)27-21-17-25(18-22-27)29-9-1-3-11-31(29)33-13-5-7-15-35(33)36-16-8-6-14-34(36)32-12-4-2-10-30(32)26-19-23-28(24-20-26)38(41)42/h1-24H
InChIKeyKGNKUVLHKJTNEL-UHFFFAOYSA-N
XLogP9.84
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.60
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779
2-(4-nitrophenyl)benzenecarbothioamide
CID 87769374
bis(1-nitro-4-phenylbenzene);sulfur dioxide
CID 174751271
[2-(4-nitrophenyl)phenyl] hydrogen carbonate
CID 54291059
2-(4-nitrophenyl)chromenylium perchlorate
CID 13045838
N-methyl-2-(4-nitrophenyl)benzamide
CID 176857926
1-amino-2-(4-nitrophenyl)anthracene-9,10-dione
CID 174815967
4-(4-nitro-2-phenylphenyl)phenol
CID 174946678
5,6,11,12-tetrakis(4-nitrophenyl)tetracene
CID 71427655
azane;nitrobenzene
CID 23197461
arsane;nitrobenzene
CID 174282180
benzene;iron;nitrobenzene
CID 174446919

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene?
The IUPAC name of 1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene (CID 102592061) is 1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene.
What is the SMILES notation for 1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene?
The canonical SMILES for 1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene is O=[N+]([O-])c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2-c2ccccc2-c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene?
The InChIKey is KGNKUVLHKJTNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2O4/c39-37(40)27-21-17-25(18-22-27)29-9-1-3-11-31(29)33-13-5-7-15-35(33)36-16-8-6-14-34(36)32-12-4-2-10-30(32)26-19-23-28(24-20-26)38(41)42/h1-24H.
What are the key properties of 1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene?
1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene has a molecular weight of 548.60 g/mol, XLogP of 9.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene is sourced from PubChem (CID 102592061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).