[4-[6-[3,5-bis[6-[4-[(4-bromophenyl)diazenyl]phenoxy]hexoxy]phenoxy]hexoxy]phenyl]-(4-bromophenyl)diazene

C60H63Br3N6O6 — CID 102136768

IUPAC[4-[6-[3,5-bis[6-[4-[(4-bromophenyl)diazenyl]phenoxy]hexoxy]phenoxy]hexoxy]phenyl]-(4-bromophenyl)diazene
SMILESBrc1ccc(/N=N/c2ccc(OCCCCCCOc3cc(OCCCCCCOc4ccc(/N=N/c5ccc(Br)cc5)cc4)cc(OCCCCCCOc4ccc(/N=N/c5ccc(Br)cc5)cc4)c3)cc2)cc1
InChIInChI=1S/C60H63Br3N6O6/c61-46-13-19-49(20-14-46)64-67-52-25-31-55(32-26-52)70-37-7-1-4-10-40-73-58-43-59(74-41-11-5-2-8-38-71-56-33-27-53(28-34-56)68-65-50-21-15-47(62)16-22-50)45-60(44-58)75-42-12-6-3-9-39-72-57-35-29-54(30-36-57)69-66-51-23-17-48(63)18-24-51/h13-36,43-45H,1-12,37-42H2/b67-64+,68-65+,69-66+
InChIKeySUJYIFARYQKDDE-DNQNZXESSA-N
MW1203.91 g/mol
LogP20.27
Rot. Bonds33

About [4-[6-[3,5-bis[6-[4-[(4-bromophenyl)diazenyl]phenoxy]hexoxy]phenoxy]hexoxy]phenyl]-(4-bromophenyl)diazene

[4-[6-[3,5-bis[6-[4-[(4-bromophenyl)diazenyl]phenoxy]hexoxy]phenoxy]hexoxy]phenyl]-(4-bromophenyl)diazene (PubChem CID 102136768) has the molecular formula C60H63Br3N6O6 and a molecular weight of 1203.91 g/mol. Its IUPAC name is [4-[6-[3,5-bis[6-[4-[(4-bromophenyl)diazenyl]phenoxy]hexoxy]phenoxy]hexoxy]phenyl]-(4-bromophenyl)diazene.

Molecular Properties

Compound Name[4-[6-[3,5-bis[6-[4-[(4-bromophenyl)diazenyl]phenoxy]hexoxy]phenoxy]hexoxy]phenyl]-(4-bromophenyl)diazene
PubChem CID102136768
Molecular FormulaC60H63Br3N6O6
Molecular Weight1203.91 g/mol
Exact Mass1200.24
IUPAC Name[4-[6-[3,5-bis[6-[4-[(4-bromophenyl)diazenyl]phenoxy]hexoxy]phenoxy]hexoxy]phenyl]-(4-bromophenyl)diazene
SMILESBrc1ccc(/N=N/c2ccc(OCCCCCCOc3cc(OCCCCCCOc4ccc(/N=N/c5ccc(Br)cc5)cc4)cc(OCCCCCCOc4ccc(/N=N/c5ccc(Br)cc5)cc4)c3)cc2)cc1
InChIInChI=1S/C60H63Br3N6O6/c61-46-13-19-49(20-14-46)64-67-52-25-31-55(32-26-52)70-37-7-1-4-10-40-73-58-43-59(74-41-11-5-2-8-38-71-56-33-27-53(28-34-56)68-65-50-21-15-47(62)16-22-50)45-60(44-58)75-42-12-6-3-9-39-72-57-35-29-54(30-36-57)69-66-51-23-17-48(63)18-24-51/h13-36,43-45H,1-12,37-42H2/b67-64+,68-65+,69-66+
InChIKeySUJYIFARYQKDDE-DNQNZXESSA-N
XLogP20.27
TPSA129.54 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds33
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001203.91
LogP ≤ 520.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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'}

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Related Compounds

(4-butoxyphenyl)-[4-[8-[4-[(4-butoxyphenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 101490875
10-[4-[[4-(10-hydroxydecoxy)phenyl]diazenyl]phenoxy]decan-1-ol
CID 100941913
6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexan-1-ol
CID 44604101
bis(4-heptoxyphenyl)diazene
CID 13087198
trimethyl-[12-[4-[[4-[12-(trimethylazaniumyl)dodecoxy]phenyl]diazenyl]phenoxy]dodecyl]azanium
CID 100928336
1,3-dibromo-5-[3-(4-bromophenoxy)propoxy]benzene
CID 59330896
[3,5-bis[6-[4-[(4-ethoxyphenyl)diazenyl]phenoxy]hexoxy]phenyl]methanol
CID 101415103
(4-ethylphenyl)-[4-[6-[4-[(4-ethylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
CID 101048956
10-[4-[[4-[10-(dimethylamino)decoxy]phenyl]diazenyl]phenoxy]-N,N-dimethyldecan-1-amine
CID 101082704
phenyl-(4-undecoxyphenyl)diazene
CID 162717560
(4-hexadecoxyphenyl)-(4-methylphenyl)diazene
CID 102454987
[4-[10-(4-methoxyphenoxy)decoxy]phenyl]-phenyldiazene
CID 71420351

Frequently Asked Questions

What is the IUPAC name of [4-[6-[3,5-bis[6-[4-[(4-bromophenyl)diazenyl]phenoxy]hexoxy]phenoxy]hexoxy]phenyl]-(4-bromophenyl)diazene?
The IUPAC name of [4-[6-[3,5-bis[6-[4-[(4-bromophenyl)diazenyl]phenoxy]hexoxy]phenoxy]hexoxy]phenyl]-(4-bromophenyl)diazene (CID 102136768) is [4-[6-[3,5-bis[6-[4-[(4-bromophenyl)diazenyl]phenoxy]hexoxy]phenoxy]hexoxy]phenyl]-(4-bromophenyl)diazene.
What is the SMILES notation for [4-[6-[3,5-bis[6-[4-[(4-bromophenyl)diazenyl]phenoxy]hexoxy]phenoxy]hexoxy]phenyl]-(4-bromophenyl)diazene?
The canonical SMILES for [4-[6-[3,5-bis[6-[4-[(4-bromophenyl)diazenyl]phenoxy]hexoxy]phenoxy]hexoxy]phenyl]-(4-bromophenyl)diazene is Brc1ccc(/N=N/c2ccc(OCCCCCCOc3cc(OCCCCCCOc4ccc(/N=N/c5ccc(Br)cc5)cc4)cc(OCCCCCCOc4ccc(/N=N/c5ccc(Br)cc5)cc4)c3)cc2)cc1.
What is the InChIKey of [4-[6-[3,5-bis[6-[4-[(4-bromophenyl)diazenyl]phenoxy]hexoxy]phenoxy]hexoxy]phenyl]-(4-bromophenyl)diazene?
The InChIKey is SUJYIFARYQKDDE-DNQNZXESSA-N. The full InChI is InChI=1S/C60H63Br3N6O6/c61-46-13-19-49(20-14-46)64-67-52-25-31-55(32-26-52)70-37-7-1-4-10-40-73-58-43-59(74-41-11-5-2-8-38-71-56-33-27-53(28-34-56)68-65-50-21-15-47(62)16-22-50)45-60(44-58)75-42-12-6-3-9-39-72-57-35-29-54(30-36-57)69-66-51-23-17-48(63)18-24-51/h13-36,43-45H,1-12,37-42H2/b67-64+,68-65+,69-66+.
What are the key properties of [4-[6-[3,5-bis[6-[4-[(4-bromophenyl)diazenyl]phenoxy]hexoxy]phenoxy]hexoxy]phenyl]-(4-bromophenyl)diazene?
[4-[6-[3,5-bis[6-[4-[(4-bromophenyl)diazenyl]phenoxy]hexoxy]phenoxy]hexoxy]phenyl]-(4-bromophenyl)diazene has a molecular weight of 1203.91 g/mol, XLogP of 20.27, 33 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[3,5-bis[6-[4-[(4-bromophenyl)diazenyl]phenoxy]hexoxy]phenoxy]hexoxy]phenyl]-(4-bromophenyl)diazene is sourced from PubChem (CID 102136768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).