(4-nitrophenyl)-[4-[8-[4-[(4-nitrophenyl)diazenyl]phenoxy]octoxy]phenyl]diazene

C32H32N6O6 — CID 102425996

IUPAC(4-nitrophenyl)-[4-[8-[4-[(4-nitrophenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccc(OCCCCCCCCOc3ccc(/N=N/c4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1
InChIInChI=1S/C32H32N6O6/c39-37(40)29-15-7-25(8-16-29)33-35-27-11-19-31(20-12-27)43-23-5-3-1-2-4-6-24-44-32-21-13-28(14-22-32)36-34-26-9-17-30(18-10-26)38(41)42/h7-22H,1-6,23-24H2/b35-33+,36-34+
InChIKeyKRITXWPSHDGFQO-LBYUQGKWSA-N
MW596.64 g/mol
LogP10.13
Rot. Bonds17

About (4-nitrophenyl)-[4-[8-[4-[(4-nitrophenyl)diazenyl]phenoxy]octoxy]phenyl]diazene

(4-nitrophenyl)-[4-[8-[4-[(4-nitrophenyl)diazenyl]phenoxy]octoxy]phenyl]diazene (PubChem CID 102425996) has the molecular formula C32H32N6O6 and a molecular weight of 596.64 g/mol. Its IUPAC name is (4-nitrophenyl)-[4-[8-[4-[(4-nitrophenyl)diazenyl]phenoxy]octoxy]phenyl]diazene.

Molecular Properties

Compound Name(4-nitrophenyl)-[4-[8-[4-[(4-nitrophenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
PubChem CID102425996
Molecular FormulaC32H32N6O6
Molecular Weight596.64 g/mol
Exact Mass596.24
IUPAC Name(4-nitrophenyl)-[4-[8-[4-[(4-nitrophenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccc(OCCCCCCCCOc3ccc(/N=N/c4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1
InChIInChI=1S/C32H32N6O6/c39-37(40)29-15-7-25(8-16-29)33-35-27-11-19-31(20-12-27)43-23-5-3-1-2-4-6-24-44-32-21-13-28(14-22-32)36-34-26-9-17-30(18-10-26)38(41)42/h7-22H,1-6,23-24H2/b35-33+,36-34+
InChIKeyKRITXWPSHDGFQO-LBYUQGKWSA-N
XLogP10.13
TPSA154.18 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.64
LogP ≤ 510.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-10-[4-[(4-nitrophenyl)diazenyl]phenoxy]decan-1-amine
CID 101457870
N,N-diethyl-6-[4-[(4-nitrophenyl)diazenyl]phenoxy]hexan-1-amine
CID 101077613
(4-nitrophenyl)-[4-(3-trimethoxysilylpropoxy)phenyl]diazene
CID 86173257
[4-(3-methylbutoxy)phenyl]-(4-nitrophenyl)diazene
CID 177395808
[4-[(4-nitrophenyl)diazenyl]phenyl] 4-hexoxybenzoate
CID 101394284
1-nitro-4-octadecoxybenzene
CID 4258205
dihexyl (2S,3R)-2,3-bis[6-[4-[(4-nitrophenyl)diazenyl]phenoxy]hexoxy]butanedioate
CID 102383801
1-(4-bromobutoxy)-4-nitrobenzene
CID 2063669
1-(3-iodopropoxy)-4-nitrobenzene
CID 15675890
2-(4-nitrophenyl)-5-[4-[8-[4-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenoxy]octoxy]phenyl]-1,3,4-oxadiazole
CID 177495649
6-[4-[(4-nitrophenyl)diazenyl]phenoxy]hexyl 4,4-dimethyl-2-(2-methylbutan-2-yl)hexanoate
CID 146434282
1-nitro-4-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 13072768

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)-[4-[8-[4-[(4-nitrophenyl)diazenyl]phenoxy]octoxy]phenyl]diazene?
The IUPAC name of (4-nitrophenyl)-[4-[8-[4-[(4-nitrophenyl)diazenyl]phenoxy]octoxy]phenyl]diazene (CID 102425996) is (4-nitrophenyl)-[4-[8-[4-[(4-nitrophenyl)diazenyl]phenoxy]octoxy]phenyl]diazene.
What is the SMILES notation for (4-nitrophenyl)-[4-[8-[4-[(4-nitrophenyl)diazenyl]phenoxy]octoxy]phenyl]diazene?
The canonical SMILES for (4-nitrophenyl)-[4-[8-[4-[(4-nitrophenyl)diazenyl]phenoxy]octoxy]phenyl]diazene is O=[N+]([O-])c1ccc(/N=N/c2ccc(OCCCCCCCCOc3ccc(/N=N/c4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1.
What is the InChIKey of (4-nitrophenyl)-[4-[8-[4-[(4-nitrophenyl)diazenyl]phenoxy]octoxy]phenyl]diazene?
The InChIKey is KRITXWPSHDGFQO-LBYUQGKWSA-N. The full InChI is InChI=1S/C32H32N6O6/c39-37(40)29-15-7-25(8-16-29)33-35-27-11-19-31(20-12-27)43-23-5-3-1-2-4-6-24-44-32-21-13-28(14-22-32)36-34-26-9-17-30(18-10-26)38(41)42/h7-22H,1-6,23-24H2/b35-33+,36-34+.
What are the key properties of (4-nitrophenyl)-[4-[8-[4-[(4-nitrophenyl)diazenyl]phenoxy]octoxy]phenyl]diazene?
(4-nitrophenyl)-[4-[8-[4-[(4-nitrophenyl)diazenyl]phenoxy]octoxy]phenyl]diazene has a molecular weight of 596.64 g/mol, XLogP of 10.13, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)-[4-[8-[4-[(4-nitrophenyl)diazenyl]phenoxy]octoxy]phenyl]diazene is sourced from PubChem (CID 102425996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).