4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]-N,N-dimethylaniline

C66H69N3O6 — CID 101371882

IUPAC4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]-N,N-dimethylaniline
SMILESCOc1cc(/C=C/c2cc(/C=C/c3cc(OC)c(/C=C/c4ccc(N(C)C)cc4)cc3OC)cc(/C=C/c3cc(OC)c(/C=C/c4ccc(N(C)C)cc4)cc3OC)c2)c(OC)cc1/C=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C66H69N3O6/c1-67(2)58-31-19-46(20-32-58)13-25-52-40-64(73-10)55(43-61(52)70-7)28-16-49-37-50(17-29-56-44-62(71-8)53(41-65(56)74-11)26-14-47-21-33-59(34-22-47)68(3)4)39-51(38-49)18-30-57-45-63(72-9)54(42-66(57)75-12)27-15-48-23-35-60(36-24-48)69(5)6/h13-45H,1-12H3/b25-13+,26-14+,27-15+,28-16+,29-17+,30-18+
InChIKeyDNBLXGYKLMKWDF-JATDPLRRSA-N
MW1000.29 g/mol
LogP14.96
Rot. Bonds21

About 4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]-N,N-dimethylaniline

4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]-N,N-dimethylaniline (PubChem CID 101371882) has the molecular formula C66H69N3O6 and a molecular weight of 1000.29 g/mol. Its IUPAC name is 4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]-N,N-dimethylaniline
PubChem CID101371882
Molecular FormulaC66H69N3O6
Molecular Weight1000.29 g/mol
Exact Mass999.52
IUPAC Name4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]-N,N-dimethylaniline
SMILESCOc1cc(/C=C/c2cc(/C=C/c3cc(OC)c(/C=C/c4ccc(N(C)C)cc4)cc3OC)cc(/C=C/c3cc(OC)c(/C=C/c4ccc(N(C)C)cc4)cc3OC)c2)c(OC)cc1/C=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C66H69N3O6/c1-67(2)58-31-19-46(20-32-58)13-25-52-40-64(73-10)55(43-61(52)70-7)28-16-49-37-50(17-29-56-44-62(71-8)53(41-65(56)74-11)26-14-47-21-33-59(34-22-47)68(3)4)39-51(38-49)18-30-57-45-63(72-9)54(42-66(57)75-12)27-15-48-23-35-60(36-24-48)69(5)6/h13-45H,1-12H3/b25-13+,26-14+,27-15+,28-16+,29-17+,30-18+
InChIKeyDNBLXGYKLMKWDF-JATDPLRRSA-N
XLogP14.96
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001000.29
LogP ≤ 514.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 54188943
4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-hexadecoxy-5-methoxyphenyl]ethenyl]-N,N-dimethylaniline
CID 102389552
4-[2-(3,5-dimethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 85073346
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
2-[[4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3-methoxyphenyl]ethenyl]phenyl]methylidene]propanedinitrile
CID 132603553
4-[(E)-2-[3-bromo-5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 10895598
4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;propane
CID 90729322
4-N-[4-[(E)-2-[4-[(E)-2-[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-N-[4-(dimethylamino)phenyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 166784252
4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-2-methylphenyl]ethenyl]phenol
CID 101050457
1,2,3-trimethoxy-5-[2-(2,4,5-trimethoxyphenyl)ethenyl]benzene
CID 85446251
4-[2-[3-[(E)-2-[4-[(E)-2-[2,5-bis[2-[4-(dimethylamino)phenyl]ethynyl]phenyl]ethenyl]phenyl]ethenyl]-4-[2-[4-(dimethylamino)phenyl]ethynyl]phenyl]ethynyl]-N,N-dimethylaniline
CID 102264095
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]-N,N-dimethylaniline (CID 101371882) is 4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]-N,N-dimethylaniline is COc1cc(/C=C/c2cc(/C=C/c3cc(OC)c(/C=C/c4ccc(N(C)C)cc4)cc3OC)cc(/C=C/c3cc(OC)c(/C=C/c4ccc(N(C)C)cc4)cc3OC)c2)c(OC)cc1/C=C/c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]-N,N-dimethylaniline?
The InChIKey is DNBLXGYKLMKWDF-JATDPLRRSA-N. The full InChI is InChI=1S/C66H69N3O6/c1-67(2)58-31-19-46(20-32-58)13-25-52-40-64(73-10)55(43-61(52)70-7)28-16-49-37-50(17-29-56-44-62(71-8)53(41-65(56)74-11)26-14-47-21-33-59(34-22-47)68(3)4)39-51(38-49)18-30-57-45-63(72-9)54(42-66(57)75-12)27-15-48-23-35-60(36-24-48)69(5)6/h13-45H,1-12H3/b25-13+,26-14+,27-15+,28-16+,29-17+,30-18+.
What are the key properties of 4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]-N,N-dimethylaniline?
4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]-N,N-dimethylaniline has a molecular weight of 1000.29 g/mol, XLogP of 14.96, 21 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 101371882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).