(4-nitrophenyl)-[4-(3-trimethoxysilylpropoxy)phenyl]diazene

C18H23N3O6Si — CID 86173257

IUPAC(4-nitrophenyl)-[4-(3-trimethoxysilylpropoxy)phenyl]diazene
SMILESCO[Si](CCCOc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1)(OC)OC
InChIInChI=1S/C18H23N3O6Si/c1-24-28(25-2,26-3)14-4-13-27-18-11-7-16(8-12-18)20-19-15-5-9-17(10-6-15)21(22)23/h5-12H,4,13-14H2,1-3H3/b20-19+
InChIKeyBOPCMBOYUUADSP-FMQUCBEESA-N
MW405.48 g/mol
LogP4.66
Rot. Bonds11

About (4-nitrophenyl)-[4-(3-trimethoxysilylpropoxy)phenyl]diazene

(4-nitrophenyl)-[4-(3-trimethoxysilylpropoxy)phenyl]diazene (PubChem CID 86173257) has the molecular formula C18H23N3O6Si and a molecular weight of 405.48 g/mol. Its IUPAC name is (4-nitrophenyl)-[4-(3-trimethoxysilylpropoxy)phenyl]diazene.

Molecular Properties

Compound Name(4-nitrophenyl)-[4-(3-trimethoxysilylpropoxy)phenyl]diazene
PubChem CID86173257
Molecular FormulaC18H23N3O6Si
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name(4-nitrophenyl)-[4-(3-trimethoxysilylpropoxy)phenyl]diazene
SMILESCO[Si](CCCOc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1)(OC)OC
InChIInChI=1S/C18H23N3O6Si/c1-24-28(25-2,26-3)14-4-13-27-18-11-7-16(8-12-18)20-19-15-5-9-17(10-6-15)21(22)23/h5-12H,4,13-14H2,1-3H3/b20-19+
InChIKeyBOPCMBOYUUADSP-FMQUCBEESA-N
XLogP4.66
TPSA104.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

trimethoxy-[3-(4-nitrophenoxy)propyl]silane
CID 70700788
(4-nitrophenyl)-[4-[8-[4-[(4-nitrophenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 102425996
[4-(3-methylbutoxy)phenyl]-(4-nitrophenyl)diazene
CID 177395808
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
N-(4-methoxyphenyl)-4-[(4-nitrophenyl)diazenyl]aniline
CID 163545972
[4-[(4-nitrophenyl)diazenyl]phenyl] 4-hexoxybenzoate
CID 101394284
1-nitro-4-octadecoxybenzene
CID 4258205
1-(3-iodopropoxy)-4-nitrobenzene
CID 15675890
dihexyl (2S,3R)-2,3-bis[6-[4-[(4-nitrophenyl)diazenyl]phenoxy]hexoxy]butanedioate
CID 102383801
1-nitro-4-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 13072768
N,N-diethyl-3-(4-nitrophenoxy)propan-1-amine;hydrochloride
CID 19863387

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)-[4-(3-trimethoxysilylpropoxy)phenyl]diazene?
The IUPAC name of (4-nitrophenyl)-[4-(3-trimethoxysilylpropoxy)phenyl]diazene (CID 86173257) is (4-nitrophenyl)-[4-(3-trimethoxysilylpropoxy)phenyl]diazene.
What is the SMILES notation for (4-nitrophenyl)-[4-(3-trimethoxysilylpropoxy)phenyl]diazene?
The canonical SMILES for (4-nitrophenyl)-[4-(3-trimethoxysilylpropoxy)phenyl]diazene is CO[Si](CCCOc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1)(OC)OC.
What is the InChIKey of (4-nitrophenyl)-[4-(3-trimethoxysilylpropoxy)phenyl]diazene?
The InChIKey is BOPCMBOYUUADSP-FMQUCBEESA-N. The full InChI is InChI=1S/C18H23N3O6Si/c1-24-28(25-2,26-3)14-4-13-27-18-11-7-16(8-12-18)20-19-15-5-9-17(10-6-15)21(22)23/h5-12H,4,13-14H2,1-3H3/b20-19+.
What are the key properties of (4-nitrophenyl)-[4-(3-trimethoxysilylpropoxy)phenyl]diazene?
(4-nitrophenyl)-[4-(3-trimethoxysilylpropoxy)phenyl]diazene has a molecular weight of 405.48 g/mol, XLogP of 4.66, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)-[4-(3-trimethoxysilylpropoxy)phenyl]diazene is sourced from PubChem (CID 86173257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).