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

C82H82N4O2 — CID 18335700

IUPAC4-[2-[4-[4-[4-[2,2-bis[4-(diethylamino)phenyl]ethenyl]naphthalen-1-yl]-2,5-diphenoxyphenyl]naphthalen-1-yl]-1-[4-(diethylamino)phenyl]ethenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C(=Cc2ccc(-c3cc(Oc4ccccc4)c(-c4ccc(C=C(c5ccc(N(CC)CC)cc5)c5ccc(N(CC)CC)cc5)c5ccccc45)cc3Oc3ccccc3)c3ccccc23)c2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C82H82N4O2/c1-9-83(10-2)65-45-35-59(36-46-65)77(60-37-47-66(48-38-60)84(11-3)12-4)55-63-43-53-75(73-33-25-23-31-71(63)73)79-57-82(88-70-29-21-18-22-30-70)80(58-81(79)87-69-27-19-17-20-28-69)76-54-44-64(72-32-24-26-34-74(72)76)56-78(61-39-49-67(50-40-61)85(13-5)14-6)62-41-51-68(52-42-62)86(15-7)16-8/h17-58H,9-16H2,1-8H3
InChIKeyIKIYFHTZORWXJX-UHFFFAOYSA-N
MW1155.58 g/mol
LogP21.47
Rot. Bonds24

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

4-[2-[4-[4-[4-[2,2-bis[4-(diethylamino)phenyl]ethenyl]naphthalen-1-yl]-2,5-diphenoxyphenyl]naphthalen-1-yl]-1-[4-(diethylamino)phenyl]ethenyl]-N,N-diethylaniline (PubChem CID 18335700) has the molecular formula C82H82N4O2 and a molecular weight of 1155.58 g/mol. Its IUPAC name is 4-[2-[4-[4-[4-[2,2-bis[4-(diethylamino)phenyl]ethenyl]naphthalen-1-yl]-2,5-diphenoxyphenyl]naphthalen-1-yl]-1-[4-(diethylamino)phenyl]ethenyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[2-[4-[4-[4-[2,2-bis[4-(diethylamino)phenyl]ethenyl]naphthalen-1-yl]-2,5-diphenoxyphenyl]naphthalen-1-yl]-1-[4-(diethylamino)phenyl]ethenyl]-N,N-diethylaniline
PubChem CID18335700
Molecular FormulaC82H82N4O2
Molecular Weight1155.58 g/mol
Exact Mass1154.64
IUPAC Name4-[2-[4-[4-[4-[2,2-bis[4-(diethylamino)phenyl]ethenyl]naphthalen-1-yl]-2,5-diphenoxyphenyl]naphthalen-1-yl]-1-[4-(diethylamino)phenyl]ethenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C(=Cc2ccc(-c3cc(Oc4ccccc4)c(-c4ccc(C=C(c5ccc(N(CC)CC)cc5)c5ccc(N(CC)CC)cc5)c5ccccc45)cc3Oc3ccccc3)c3ccccc23)c2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C82H82N4O2/c1-9-83(10-2)65-45-35-59(36-46-65)77(60-37-47-66(48-38-60)84(11-3)12-4)55-63-43-53-75(73-33-25-23-31-71(63)73)79-57-82(88-70-29-21-18-22-30-70)80(58-81(79)87-69-27-19-17-20-28-69)76-54-44-64(72-32-24-26-34-74(72)76)56-78(61-39-49-67(50-40-61)85(13-5)14-6)62-41-51-68(52-42-62)86(15-7)16-8/h17-58H,9-16H2,1-8H3
InChIKeyIKIYFHTZORWXJX-UHFFFAOYSA-N
XLogP21.47
TPSA31.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001155.58
LogP ≤ 521.47
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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Related Compounds

N,N-dimethyl-3-[2-[3-(3-naphthalen-1-yloxypropoxy)prop-1-ynyl]-5,6-dihydrobenzo[b][1]benzazepin-11-yl]propan-1-amine
CID 127046067
N,N-dimethyl-3-[2-[3-(3-naphthalen-1-yloxypropoxy)propyl]-5,6-dihydrobenzo[b][1]benzazepin-11-yl]propan-1-amine
CID 127046826
N,N-dimethyl-3-[2-[3-(2-naphthalen-1-yloxyethoxy)propyl]-5,6-dihydrobenzo[b][1]benzazepin-11-yl]propan-1-amine
CID 127047781
4-[[4-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methyl]-N,N-dimethylaniline
CID 2825072
4-[4-(4-Methylphenyl)piperazin-1-yl]benzo[h]chromen-2-one
CID 155558923
1-[[4-(2-Naphthalen-1-yloxyethyl)phenyl]methyl]-4-phenylpiperazine;dihydrochloride
CID 155566491
4-[2-(3,4-dimethoxynaphthalen-1-yl)-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline
CID 356139
4-methyl-N-[2-(naphthalen-1-ylmethoxy)benzyl]aniline
CID 1750395
N-(anthracen-9-ylmethyl)-4-[4-(anthracen-9-ylmethylamino)phenoxy]aniline
CID 76328882
1-(4-Methylphenyl)-4-[2-[4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 145970441
1-Phenyl-4-[[4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]phenyl]methyl]piperazine;dihydrochloride
CID 155538797
4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]benzo[h]chromen-2-one
CID 155546099

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-[4-[2,2-bis[4-(diethylamino)phenyl]ethenyl]naphthalen-1-yl]-2,5-diphenoxyphenyl]naphthalen-1-yl]-1-[4-(diethylamino)phenyl]ethenyl]-N,N-diethylaniline?
The IUPAC name of 4-[2-[4-[4-[4-[2,2-bis[4-(diethylamino)phenyl]ethenyl]naphthalen-1-yl]-2,5-diphenoxyphenyl]naphthalen-1-yl]-1-[4-(diethylamino)phenyl]ethenyl]-N,N-diethylaniline (CID 18335700) is 4-[2-[4-[4-[4-[2,2-bis[4-(diethylamino)phenyl]ethenyl]naphthalen-1-yl]-2,5-diphenoxyphenyl]naphthalen-1-yl]-1-[4-(diethylamino)phenyl]ethenyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[2-[4-[4-[4-[2,2-bis[4-(diethylamino)phenyl]ethenyl]naphthalen-1-yl]-2,5-diphenoxyphenyl]naphthalen-1-yl]-1-[4-(diethylamino)phenyl]ethenyl]-N,N-diethylaniline?
The canonical SMILES for 4-[2-[4-[4-[4-[2,2-bis[4-(diethylamino)phenyl]ethenyl]naphthalen-1-yl]-2,5-diphenoxyphenyl]naphthalen-1-yl]-1-[4-(diethylamino)phenyl]ethenyl]-N,N-diethylaniline is CCN(CC)c1ccc(C(=Cc2ccc(-c3cc(Oc4ccccc4)c(-c4ccc(C=C(c5ccc(N(CC)CC)cc5)c5ccc(N(CC)CC)cc5)c5ccccc45)cc3Oc3ccccc3)c3ccccc23)c2ccc(N(CC)CC)cc2)cc1.
What is the InChIKey of 4-[2-[4-[4-[4-[2,2-bis[4-(diethylamino)phenyl]ethenyl]naphthalen-1-yl]-2,5-diphenoxyphenyl]naphthalen-1-yl]-1-[4-(diethylamino)phenyl]ethenyl]-N,N-diethylaniline?
The InChIKey is IKIYFHTZORWXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H82N4O2/c1-9-83(10-2)65-45-35-59(36-46-65)77(60-37-47-66(48-38-60)84(11-3)12-4)55-63-43-53-75(73-33-25-23-31-71(63)73)79-57-82(88-70-29-21-18-22-30-70)80(58-81(79)87-69-27-19-17-20-28-69)76-54-44-64(72-32-24-26-34-74(72)76)56-78(61-39-49-67(50-40-61)85(13-5)14-6)62-41-51-68(52-42-62)86(15-7)16-8/h17-58H,9-16H2,1-8H3.
What are the key properties of 4-[2-[4-[4-[4-[2,2-bis[4-(diethylamino)phenyl]ethenyl]naphthalen-1-yl]-2,5-diphenoxyphenyl]naphthalen-1-yl]-1-[4-(diethylamino)phenyl]ethenyl]-N,N-diethylaniline?
4-[2-[4-[4-[4-[2,2-bis[4-(diethylamino)phenyl]ethenyl]naphthalen-1-yl]-2,5-diphenoxyphenyl]naphthalen-1-yl]-1-[4-(diethylamino)phenyl]ethenyl]-N,N-diethylaniline has a molecular weight of 1155.58 g/mol, XLogP of 21.47, 24 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-(diethylamino)phenyl]ethenyl]naphthalen-1-yl]-2,5-diphenoxyphenyl]naphthalen-1-yl]-1-[4-(diethylamino)phenyl]ethenyl]-N,N-diethylaniline is sourced from PubChem (CID 18335700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).