N-(4-nitrophenyl)-4-[4-(N-(4-nitrophenyl)anilino)phenyl]-N-phenylaniline

C36H26N4O4 — CID 3098255

IUPACN-(4-nitrophenyl)-4-[4-(N-(4-nitrophenyl)anilino)phenyl]-N-phenylaniline
SMILESO=[N+]([O-])c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1
InChIInChI=1S/C36H26N4O4/c41-39(42)35-23-19-33(20-24-35)37(29-7-3-1-4-8-29)31-15-11-27(12-16-31)28-13-17-32(18-14-28)38(30-9-5-2-6-10-30)34-21-25-36(26-22-34)40(43)44/h1-26H
InChIKeyWXJZOZBMOPJKOC-UHFFFAOYSA-N
MW578.63 g/mol
LogP10.11
Rot. Bonds9

About N-(4-nitrophenyl)-4-[4-(N-(4-nitrophenyl)anilino)phenyl]-N-phenylaniline

N-(4-nitrophenyl)-4-[4-(N-(4-nitrophenyl)anilino)phenyl]-N-phenylaniline (PubChem CID 3098255) has the molecular formula C36H26N4O4 and a molecular weight of 578.63 g/mol. Its IUPAC name is N-(4-nitrophenyl)-4-[4-(N-(4-nitrophenyl)anilino)phenyl]-N-phenylaniline.

Molecular Properties

Compound NameN-(4-nitrophenyl)-4-[4-(N-(4-nitrophenyl)anilino)phenyl]-N-phenylaniline
PubChem CID3098255
Molecular FormulaC36H26N4O4
Molecular Weight578.63 g/mol
Exact Mass578.20
IUPAC NameN-(4-nitrophenyl)-4-[4-(N-(4-nitrophenyl)anilino)phenyl]-N-phenylaniline
SMILESO=[N+]([O-])c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1
InChIInChI=1S/C36H26N4O4/c41-39(42)35-23-19-33(20-24-35)37(29-7-3-1-4-8-29)31-15-11-27(12-16-31)28-13-17-32(18-14-28)38(30-9-5-2-6-10-30)34-21-25-36(26-22-34)40(43)44/h1-26H
InChIKeyWXJZOZBMOPJKOC-UHFFFAOYSA-N
XLogP10.11
TPSA92.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.63
LogP ≤ 510.11
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'}

Analyze N-(4-nitrophenyl)-4-[4-(N-(4-nitrophenyl)anilino)phenyl]-N-phenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-4-[4-(N-(4-nitrophenyl)anilino)phenyl]-N-phenylaniline?
The IUPAC name of N-(4-nitrophenyl)-4-[4-(N-(4-nitrophenyl)anilino)phenyl]-N-phenylaniline (CID 3098255) is N-(4-nitrophenyl)-4-[4-(N-(4-nitrophenyl)anilino)phenyl]-N-phenylaniline.
What is the SMILES notation for N-(4-nitrophenyl)-4-[4-(N-(4-nitrophenyl)anilino)phenyl]-N-phenylaniline?
The canonical SMILES for N-(4-nitrophenyl)-4-[4-(N-(4-nitrophenyl)anilino)phenyl]-N-phenylaniline is O=[N+]([O-])c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1.
What is the InChIKey of N-(4-nitrophenyl)-4-[4-(N-(4-nitrophenyl)anilino)phenyl]-N-phenylaniline?
The InChIKey is WXJZOZBMOPJKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N4O4/c41-39(42)35-23-19-33(20-24-35)37(29-7-3-1-4-8-29)31-15-11-27(12-16-31)28-13-17-32(18-14-28)38(30-9-5-2-6-10-30)34-21-25-36(26-22-34)40(43)44/h1-26H.
What are the key properties of N-(4-nitrophenyl)-4-[4-(N-(4-nitrophenyl)anilino)phenyl]-N-phenylaniline?
N-(4-nitrophenyl)-4-[4-(N-(4-nitrophenyl)anilino)phenyl]-N-phenylaniline has a molecular weight of 578.63 g/mol, XLogP of 10.11, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-4-[4-(N-(4-nitrophenyl)anilino)phenyl]-N-phenylaniline is sourced from PubChem (CID 3098255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).