4-[2-[4-[4-[4-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]naphthalen-1-yl]-2,5-diphenoxyphenyl]naphthalen-1-yl]-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline

C74H66N4O2 — CID 20650258

IUPAC4-[2-[4-[4-[4-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]naphthalen-1-yl]-2,5-diphenoxyphenyl]naphthalen-1-yl]-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(=Cc2ccc(-c3cc(Oc4ccccc4)c(-c4ccc(C=C(c5ccc(N(C)C)cc5)c5ccc(N(C)C)cc5)c5ccccc45)cc3Oc3ccccc3)c3ccccc23)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C74H66N4O2/c1-75(2)57-37-27-51(28-38-57)69(52-29-39-58(40-30-52)76(3)4)47-55-35-45-67(65-25-17-15-23-63(55)65)71-49-74(80-62-21-13-10-14-22-62)72(50-73(71)79-61-19-11-9-12-20-61)68-46-36-56(64-24-16-18-26-66(64)68)48-70(53-31-41-59(42-32-53)77(5)6)54-33-43-60(44-34-54)78(7)8/h9-50H,1-8H3
InChIKeyZDRMWBACRMUMQO-UHFFFAOYSA-N
MW1043.37 g/mol
LogP18.35
Rot. Bonds16

About 4-[2-[4-[4-[4-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]naphthalen-1-yl]-2,5-diphenoxyphenyl]naphthalen-1-yl]-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline

4-[2-[4-[4-[4-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]naphthalen-1-yl]-2,5-diphenoxyphenyl]naphthalen-1-yl]-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline (PubChem CID 20650258) has the molecular formula C74H66N4O2 and a molecular weight of 1043.37 g/mol. Its IUPAC name is 4-[2-[4-[4-[4-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]naphthalen-1-yl]-2,5-diphenoxyphenyl]naphthalen-1-yl]-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-[4-[4-[4-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]naphthalen-1-yl]-2,5-diphenoxyphenyl]naphthalen-1-yl]-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline
PubChem CID20650258
Molecular FormulaC74H66N4O2
Molecular Weight1043.37 g/mol
Exact Mass1042.52
IUPAC Name4-[2-[4-[4-[4-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]naphthalen-1-yl]-2,5-diphenoxyphenyl]naphthalen-1-yl]-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(=Cc2ccc(-c3cc(Oc4ccccc4)c(-c4ccc(C=C(c5ccc(N(C)C)cc5)c5ccc(N(C)C)cc5)c5ccccc45)cc3Oc3ccccc3)c3ccccc23)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C74H66N4O2/c1-75(2)57-37-27-51(28-38-57)69(52-29-39-58(40-30-52)76(3)4)47-55-35-45-67(65-25-17-15-23-63(55)65)71-49-74(80-62-21-13-10-14-22-62)72(50-73(71)79-61-19-11-9-12-20-61)68-46-36-56(64-24-16-18-26-66(64)68)48-70(53-31-41-59(42-32-53)77(5)6)54-33-43-60(44-34-54)78(7)8/h9-50H,1-8H3
InChIKeyZDRMWBACRMUMQO-UHFFFAOYSA-N
XLogP18.35
TPSA31.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001043.37
LogP ≤ 518.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-[4-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]naphthalen-1-yl]-2,5-diphenoxyphenyl]naphthalen-1-yl]-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-[4-[4-[4-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]naphthalen-1-yl]-2,5-diphenoxyphenyl]naphthalen-1-yl]-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline (CID 20650258) is 4-[2-[4-[4-[4-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]naphthalen-1-yl]-2,5-diphenoxyphenyl]naphthalen-1-yl]-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-[4-[4-[4-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]naphthalen-1-yl]-2,5-diphenoxyphenyl]naphthalen-1-yl]-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-[4-[4-[4-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]naphthalen-1-yl]-2,5-diphenoxyphenyl]naphthalen-1-yl]-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline is CN(C)c1ccc(C(=Cc2ccc(-c3cc(Oc4ccccc4)c(-c4ccc(C=C(c5ccc(N(C)C)cc5)c5ccc(N(C)C)cc5)c5ccccc45)cc3Oc3ccccc3)c3ccccc23)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[2-[4-[4-[4-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]naphthalen-1-yl]-2,5-diphenoxyphenyl]naphthalen-1-yl]-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline?
The InChIKey is ZDRMWBACRMUMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H66N4O2/c1-75(2)57-37-27-51(28-38-57)69(52-29-39-58(40-30-52)76(3)4)47-55-35-45-67(65-25-17-15-23-63(55)65)71-49-74(80-62-21-13-10-14-22-62)72(50-73(71)79-61-19-11-9-12-20-61)68-46-36-56(64-24-16-18-26-66(64)68)48-70(53-31-41-59(42-32-53)77(5)6)54-33-43-60(44-34-54)78(7)8/h9-50H,1-8H3.
What are the key properties of 4-[2-[4-[4-[4-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]naphthalen-1-yl]-2,5-diphenoxyphenyl]naphthalen-1-yl]-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline?
4-[2-[4-[4-[4-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]naphthalen-1-yl]-2,5-diphenoxyphenyl]naphthalen-1-yl]-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline has a molecular weight of 1043.37 g/mol, XLogP of 18.35, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4-[4-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]naphthalen-1-yl]-2,5-diphenoxyphenyl]naphthalen-1-yl]-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 20650258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).