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

C74H122N6+4 — CID 102143054

IUPAC8-[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
SMILESC[N+](C)(C)CCCCCCCCN(CCCCCCCC[N+](C)(C)C)c1ccc(/C=C/c2ccc(/C=C/c3ccc(/C=C/c4ccc(N(CCCCCCCC[N+](C)(C)C)CCCCCCCC[N+](C)(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C74H122N6/c1-77(2,3)63-33-25-17-13-21-29-59-75(60-30-22-14-18-26-34-64-78(4,5)6)73-55-51-71(52-56-73)49-47-69-43-39-67(40-44-69)37-38-68-41-45-70(46-42-68)48-50-72-53-57-74(58-54-72)76(61-31-23-15-19-27-35-65-79(7,8)9)62-32-24-16-20-28-36-66-80(10,11)12/h37-58H,13-36,59-66H2,1-12H3/q+4/b38-37+,49-47+,50-48+
InChIKeyJKNVLIXYMMWRBI-OHQQPZEWSA-N
MW1095.83 g/mol
LogP18.00
Rot. Bonds44

About 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

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 (PubChem CID 102143054) has the molecular formula C74H122N6+4 and a molecular weight of 1095.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[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
PubChem CID102143054
Molecular FormulaC74H122N6+4
Molecular Weight1095.83 g/mol
Exact Mass1094.97
IUPAC Name8-[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
SMILESC[N+](C)(C)CCCCCCCCN(CCCCCCCC[N+](C)(C)C)c1ccc(/C=C/c2ccc(/C=C/c3ccc(/C=C/c4ccc(N(CCCCCCCC[N+](C)(C)C)CCCCCCCC[N+](C)(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C74H122N6/c1-77(2,3)63-33-25-17-13-21-29-59-75(60-30-22-14-18-26-34-64-78(4,5)6)73-55-51-71(52-56-73)49-47-69-43-39-67(40-44-69)37-38-68-41-45-70(46-42-68)48-50-72-53-57-74(58-54-72)76(61-31-23-15-19-27-35-65-79(7,8)9)62-32-24-16-20-28-36-66-80(10,11)12/h37-58H,13-36,59-66H2,1-12H3/q+4/b38-37+,49-47+,50-48+
InChIKeyJKNVLIXYMMWRBI-OHQQPZEWSA-N
XLogP18.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds44
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001095.83
LogP ≤ 518.00
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 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 with MolForge

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Related Compounds

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
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[N+](C)(C)CCCCCCCCN(CCCCCCCC[N+](C)(C)C)c1ccc(/C=C/c2ccc(/C=C/c3ccc(/C=C/c4ccc(N(CCCCCCCC[N+](C)(C)C)CCCCCCCC[N+](C)(C)C)cc4)cc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is JKNVLIXYMMWRBI-OHQQPZEWSA-N. The full InChI is InChI=1S/C74H122N6/c1-77(2,3)63-33-25-17-13-21-29-59-75(60-30-22-14-18-26-34-64-78(4,5)6)73-55-51-71(52-56-73)49-47-69-43-39-67(40-44-69)37-38-68-41-45-70(46-42-68)48-50-72-53-57-74(58-54-72)76(61-31-23-15-19-27-35-65-79(7,8)9)62-32-24-16-20-28-36-66-80(10,11)12/h37-58H,13-36,59-66H2,1-12H3/q+4/b38-37+,49-47+,50-48+.
What are the key properties of 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?
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 has a molecular weight of 1095.83 g/mol, XLogP of 18.00, 44 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 102143054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).