6-[4-[2-[4-[2-[4-[2-[4-[bis[6-(trimethylazaniumyl)hexyl]amino]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-N-[6-(trimethylazaniumyl)hexyl]anilino]hexyl-trimethylazanium

C66H106N6+4 — CID 123622765

IUPAC6-[4-[2-[4-[2-[4-[2-[4-[bis[6-(trimethylazaniumyl)hexyl]amino]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-N-[6-(trimethylazaniumyl)hexyl]anilino]hexyl-trimethylazanium
SMILESC[N+](C)(C)CCCCCCN(CCCCCC[N+](C)(C)C)c1ccc(C=Cc2ccc(C=Cc3ccc(C=Cc4ccc(N(CCCCCC[N+](C)(C)C)CCCCCC[N+](C)(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C66H106N6/c1-69(2,3)55-25-17-13-21-51-67(52-22-14-18-26-56-70(4,5)6)65-47-43-63(44-48-65)41-39-61-35-31-59(32-36-61)29-30-60-33-37-62(38-34-60)40-42-64-45-49-66(50-46-64)68(53-23-15-19-27-57-71(7,8)9)54-24-16-20-28-58-72(10,11)12/h29-50H,13-28,51-58H2,1-12H3/q+4
InChIKeyZDMDYJRTQRHJLQ-UHFFFAOYSA-N
MW983.62 g/mol
LogP14.88
Rot. Bonds36

About 6-[4-[2-[4-[2-[4-[2-[4-[bis[6-(trimethylazaniumyl)hexyl]amino]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-N-[6-(trimethylazaniumyl)hexyl]anilino]hexyl-trimethylazanium

6-[4-[2-[4-[2-[4-[2-[4-[bis[6-(trimethylazaniumyl)hexyl]amino]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-N-[6-(trimethylazaniumyl)hexyl]anilino]hexyl-trimethylazanium (PubChem CID 123622765) has the molecular formula C66H106N6+4 and a molecular weight of 983.62 g/mol. Its IUPAC name is 6-[4-[2-[4-[2-[4-[2-[4-[bis[6-(trimethylazaniumyl)hexyl]amino]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-N-[6-(trimethylazaniumyl)hexyl]anilino]hexyl-trimethylazanium.

Molecular Properties

Compound Name6-[4-[2-[4-[2-[4-[2-[4-[bis[6-(trimethylazaniumyl)hexyl]amino]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-N-[6-(trimethylazaniumyl)hexyl]anilino]hexyl-trimethylazanium
PubChem CID123622765
Molecular FormulaC66H106N6+4
Molecular Weight983.62 g/mol
Exact Mass982.85
IUPAC Name6-[4-[2-[4-[2-[4-[2-[4-[bis[6-(trimethylazaniumyl)hexyl]amino]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-N-[6-(trimethylazaniumyl)hexyl]anilino]hexyl-trimethylazanium
SMILESC[N+](C)(C)CCCCCCN(CCCCCC[N+](C)(C)C)c1ccc(C=Cc2ccc(C=Cc3ccc(C=Cc4ccc(N(CCCCCC[N+](C)(C)C)CCCCCC[N+](C)(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C66H106N6/c1-69(2,3)55-25-17-13-21-51-67(52-22-14-18-26-56-70(4,5)6)65-47-43-63(44-48-65)41-39-61-35-31-59(32-36-61)29-30-60-33-37-62(38-34-60)40-42-64-45-49-66(50-46-64)68(53-23-15-19-27-57-71(7,8)9)54-24-16-20-28-58-72(10,11)12/h29-50H,13-28,51-58H2,1-12H3/q+4
InChIKeyZDMDYJRTQRHJLQ-UHFFFAOYSA-N
XLogP14.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds36
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500983.62
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 6-[4-[2-[4-[2-[4-[2-[4-[bis[6-(trimethylazaniumyl)hexyl]amino]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-N-[6-(trimethylazaniumyl)hexyl]anilino]hexyl-trimethylazanium with MolForge

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Related Compounds

8-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[bis[8-(trimethylazaniumyl)octyl]amino]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-N-[8-(trimethylazaniumyl)octyl]anilino]octyl-trimethylazanium
CID 102143054
3-[4-[(E)-2-[6-(didodecylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-trimethylazanium dibromide
CID 6508716
4-[(E)-2-[4-[(E)-2-[4,6-bis[(E)-2-[4-[(E)-2-[4-(dihexylamino)phenyl]ethenyl]phenyl]ethenyl]-1,3,5-triazin-2-yl]ethenyl]phenyl]ethenyl]-N,N-dihexylaniline
CID 11586243
3-[4-amino-N-[3-(trimethylazaniumyl)propyl]anilino]propyl-trimethylazanium dichloride
CID 70008804
6-[N-(6-hydroxyhexyl)-4-[2-(4-methylsulfonylphenyl)ethenyl]anilino]hexan-1-ol
CID 54060983
4-[2-[4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]ethenyl]-N,N-dioctadecylaniline
CID 173386117
N,N-didodecyl-4-[(E)-2-[4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]phenyl]ethenyl]aniline
CID 173386094
N,N-dihexadecyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline iodide
CID 6439243
N,N-dihexyl-4-[(E)-2-(1-octadecylpyridin-1-ium-4-yl)ethenyl]aniline iodide
CID 19067595
4-[2-(1-butylpyridin-1-ium-4-yl)ethenyl]-N,N-didodecylaniline iodide
CID 160525428
N,N-didodecyl-4-[2-(1-ethylpyridin-1-ium-4-yl)ethenyl]aniline iodide
CID 157330184
4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dipentylaniline
CID 67935322

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[4-[2-[4-[2-[4-[bis[6-(trimethylazaniumyl)hexyl]amino]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-N-[6-(trimethylazaniumyl)hexyl]anilino]hexyl-trimethylazanium?
The IUPAC name of 6-[4-[2-[4-[2-[4-[2-[4-[bis[6-(trimethylazaniumyl)hexyl]amino]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-N-[6-(trimethylazaniumyl)hexyl]anilino]hexyl-trimethylazanium (CID 123622765) is 6-[4-[2-[4-[2-[4-[2-[4-[bis[6-(trimethylazaniumyl)hexyl]amino]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-N-[6-(trimethylazaniumyl)hexyl]anilino]hexyl-trimethylazanium.
What is the SMILES notation for 6-[4-[2-[4-[2-[4-[2-[4-[bis[6-(trimethylazaniumyl)hexyl]amino]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-N-[6-(trimethylazaniumyl)hexyl]anilino]hexyl-trimethylazanium?
The canonical SMILES for 6-[4-[2-[4-[2-[4-[2-[4-[bis[6-(trimethylazaniumyl)hexyl]amino]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-N-[6-(trimethylazaniumyl)hexyl]anilino]hexyl-trimethylazanium is C[N+](C)(C)CCCCCCN(CCCCCC[N+](C)(C)C)c1ccc(C=Cc2ccc(C=Cc3ccc(C=Cc4ccc(N(CCCCCC[N+](C)(C)C)CCCCCC[N+](C)(C)C)cc4)cc3)cc2)cc1.
What is the InChIKey of 6-[4-[2-[4-[2-[4-[2-[4-[bis[6-(trimethylazaniumyl)hexyl]amino]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-N-[6-(trimethylazaniumyl)hexyl]anilino]hexyl-trimethylazanium?
The InChIKey is ZDMDYJRTQRHJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H106N6/c1-69(2,3)55-25-17-13-21-51-67(52-22-14-18-26-56-70(4,5)6)65-47-43-63(44-48-65)41-39-61-35-31-59(32-36-61)29-30-60-33-37-62(38-34-60)40-42-64-45-49-66(50-46-64)68(53-23-15-19-27-57-71(7,8)9)54-24-16-20-28-58-72(10,11)12/h29-50H,13-28,51-58H2,1-12H3/q+4.
What are the key properties of 6-[4-[2-[4-[2-[4-[2-[4-[bis[6-(trimethylazaniumyl)hexyl]amino]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-N-[6-(trimethylazaniumyl)hexyl]anilino]hexyl-trimethylazanium?
6-[4-[2-[4-[2-[4-[2-[4-[bis[6-(trimethylazaniumyl)hexyl]amino]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-N-[6-(trimethylazaniumyl)hexyl]anilino]hexyl-trimethylazanium has a molecular weight of 983.62 g/mol, XLogP of 14.88, 36 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[4-[2-[4-[2-[4-[bis[6-(trimethylazaniumyl)hexyl]amino]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-N-[6-(trimethylazaniumyl)hexyl]anilino]hexyl-trimethylazanium is sourced from PubChem (CID 123622765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).