N-[4-[(1E,3E)-4-[4-[N-(4-ethoxy-2-ethylphenyl)-4-[(1E,3Z)-4-[4-(N-(4-ethylphenyl)-4-methylanilino)phenyl]buta-1,3-dienyl]anilino]phenyl]buta-1,3-dienyl]phenyl]-N-(4-ethylphenyl)naphthalen-2-amine

C75H69N3O — CID 118245568

IUPACN-[4-[(1E,3E)-4-[4-[N-(4-ethoxy-2-ethylphenyl)-4-[(1E,3Z)-4-[4-(N-(4-ethylphenyl)-4-methylanilino)phenyl]buta-1,3-dienyl]anilino]phenyl]buta-1,3-dienyl]phenyl]-N-(4-ethylphenyl)naphthalen-2-amine
SMILESCCOc1ccc(N(c2ccc(/C=C/C=C\c3ccc(N(c4ccc(C)cc4)c4ccc(CC)cc4)cc3)cc2)c2ccc(/C=C/C=C/c3ccc(N(c4ccc(CC)cc4)c4ccc5ccccc5c4)cc3)cc2)c(CC)c1
InChIInChI=1S/C75H69N3O/c1-6-57-24-39-67(40-25-57)76(66-37-22-56(5)23-38-66)68-43-28-59(29-44-68)16-10-12-18-61-32-47-71(48-33-61)78(75-53-52-74(79-9-4)55-63(75)8-3)72-49-34-62(35-50-72)19-13-11-17-60-30-45-70(46-31-60)77(69-41-26-58(7-2)27-42-69)73-51-36-64-20-14-15-21-65(64)54-73/h10-55H,6-9H2,1-5H3/b16-10-,17-11+,18-12+,19-13+
InChIKeyGBMLJESOWCVGKX-PLYHPMEPSA-N
MW1028.40 g/mol
LogP21.10
Rot. Bonds20

About N-[4-[(1E,3E)-4-[4-[N-(4-ethoxy-2-ethylphenyl)-4-[(1E,3Z)-4-[4-(N-(4-ethylphenyl)-4-methylanilino)phenyl]buta-1,3-dienyl]anilino]phenyl]buta-1,3-dienyl]phenyl]-N-(4-ethylphenyl)naphthalen-2-amine

N-[4-[(1E,3E)-4-[4-[N-(4-ethoxy-2-ethylphenyl)-4-[(1E,3Z)-4-[4-(N-(4-ethylphenyl)-4-methylanilino)phenyl]buta-1,3-dienyl]anilino]phenyl]buta-1,3-dienyl]phenyl]-N-(4-ethylphenyl)naphthalen-2-amine (PubChem CID 118245568) has the molecular formula C75H69N3O and a molecular weight of 1028.40 g/mol. Its IUPAC name is N-[4-[(1E,3E)-4-[4-[N-(4-ethoxy-2-ethylphenyl)-4-[(1E,3Z)-4-[4-(N-(4-ethylphenyl)-4-methylanilino)phenyl]buta-1,3-dienyl]anilino]phenyl]buta-1,3-dienyl]phenyl]-N-(4-ethylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[(1E,3E)-4-[4-[N-(4-ethoxy-2-ethylphenyl)-4-[(1E,3Z)-4-[4-(N-(4-ethylphenyl)-4-methylanilino)phenyl]buta-1,3-dienyl]anilino]phenyl]buta-1,3-dienyl]phenyl]-N-(4-ethylphenyl)naphthalen-2-amine
PubChem CID118245568
Molecular FormulaC75H69N3O
Molecular Weight1028.40 g/mol
Exact Mass1027.54
IUPAC NameN-[4-[(1E,3E)-4-[4-[N-(4-ethoxy-2-ethylphenyl)-4-[(1E,3Z)-4-[4-(N-(4-ethylphenyl)-4-methylanilino)phenyl]buta-1,3-dienyl]anilino]phenyl]buta-1,3-dienyl]phenyl]-N-(4-ethylphenyl)naphthalen-2-amine
SMILESCCOc1ccc(N(c2ccc(/C=C/C=C\c3ccc(N(c4ccc(C)cc4)c4ccc(CC)cc4)cc3)cc2)c2ccc(/C=C/C=C/c3ccc(N(c4ccc(CC)cc4)c4ccc5ccccc5c4)cc3)cc2)c(CC)c1
InChIInChI=1S/C75H69N3O/c1-6-57-24-39-67(40-25-57)76(66-37-22-56(5)23-38-66)68-43-28-59(29-44-68)16-10-12-18-61-32-47-71(48-33-61)78(75-53-52-74(79-9-4)55-63(75)8-3)72-49-34-62(35-50-72)19-13-11-17-60-30-45-70(46-31-60)77(69-41-26-58(7-2)27-42-69)73-51-36-64-20-14-15-21-65(64)54-73/h10-55H,6-9H2,1-5H3/b16-10-,17-11+,18-12+,19-13+
InChIKeyGBMLJESOWCVGKX-PLYHPMEPSA-N
XLogP21.10
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001028.40
LogP ≤ 521.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[4-[(1E,3E)-4-[4-[N-(4-ethoxy-2-ethylphenyl)-4-[(1E,3Z)-4-[4-(N-(4-ethylphenyl)-4-methylanilino)phenyl]buta-1,3-dienyl]anilino]phenyl]buta-1,3-dienyl]phenyl]-N-(4-ethylphenyl)naphthalen-2-amine with MolForge

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Related Compounds

N-(4-ethylphenyl)-N-phenylnaphthalen-2-amine
CID 15445670
ethane;4-ethyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-ethyl-N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-ethylphenyl)aniline;4-methyl-N-[4-[2-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 91530733
2,5-diethoxy-N,N-bis[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline
CID 123820385
N-[4-[(E)-2-[4-(N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 89074801
N-(2-methylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 91294217
4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-diphenylaniline
CID 70499270
N-[4-[2-[4-[2-[4-(4-ethyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-ethylphenyl)-3-methylaniline
CID 73195825
N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 142369334
4-ethyl-N-[4-[(E)-2-[4-(N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline
CID 59722336
N-[4-[2-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 91011081
N-(4-ethylphenyl)-4-methyl-N-phenylaniline
CID 58800452
2-ethoxynaphthalene
CID 118978197

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1E,3E)-4-[4-[N-(4-ethoxy-2-ethylphenyl)-4-[(1E,3Z)-4-[4-(N-(4-ethylphenyl)-4-methylanilino)phenyl]buta-1,3-dienyl]anilino]phenyl]buta-1,3-dienyl]phenyl]-N-(4-ethylphenyl)naphthalen-2-amine?
The IUPAC name of N-[4-[(1E,3E)-4-[4-[N-(4-ethoxy-2-ethylphenyl)-4-[(1E,3Z)-4-[4-(N-(4-ethylphenyl)-4-methylanilino)phenyl]buta-1,3-dienyl]anilino]phenyl]buta-1,3-dienyl]phenyl]-N-(4-ethylphenyl)naphthalen-2-amine (CID 118245568) is N-[4-[(1E,3E)-4-[4-[N-(4-ethoxy-2-ethylphenyl)-4-[(1E,3Z)-4-[4-(N-(4-ethylphenyl)-4-methylanilino)phenyl]buta-1,3-dienyl]anilino]phenyl]buta-1,3-dienyl]phenyl]-N-(4-ethylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[4-[(1E,3E)-4-[4-[N-(4-ethoxy-2-ethylphenyl)-4-[(1E,3Z)-4-[4-(N-(4-ethylphenyl)-4-methylanilino)phenyl]buta-1,3-dienyl]anilino]phenyl]buta-1,3-dienyl]phenyl]-N-(4-ethylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[4-[(1E,3E)-4-[4-[N-(4-ethoxy-2-ethylphenyl)-4-[(1E,3Z)-4-[4-(N-(4-ethylphenyl)-4-methylanilino)phenyl]buta-1,3-dienyl]anilino]phenyl]buta-1,3-dienyl]phenyl]-N-(4-ethylphenyl)naphthalen-2-amine is CCOc1ccc(N(c2ccc(/C=C/C=C\c3ccc(N(c4ccc(C)cc4)c4ccc(CC)cc4)cc3)cc2)c2ccc(/C=C/C=C/c3ccc(N(c4ccc(CC)cc4)c4ccc5ccccc5c4)cc3)cc2)c(CC)c1.
What is the InChIKey of N-[4-[(1E,3E)-4-[4-[N-(4-ethoxy-2-ethylphenyl)-4-[(1E,3Z)-4-[4-(N-(4-ethylphenyl)-4-methylanilino)phenyl]buta-1,3-dienyl]anilino]phenyl]buta-1,3-dienyl]phenyl]-N-(4-ethylphenyl)naphthalen-2-amine?
The InChIKey is GBMLJESOWCVGKX-PLYHPMEPSA-N. The full InChI is InChI=1S/C75H69N3O/c1-6-57-24-39-67(40-25-57)76(66-37-22-56(5)23-38-66)68-43-28-59(29-44-68)16-10-12-18-61-32-47-71(48-33-61)78(75-53-52-74(79-9-4)55-63(75)8-3)72-49-34-62(35-50-72)19-13-11-17-60-30-45-70(46-31-60)77(69-41-26-58(7-2)27-42-69)73-51-36-64-20-14-15-21-65(64)54-73/h10-55H,6-9H2,1-5H3/b16-10-,17-11+,18-12+,19-13+.
What are the key properties of N-[4-[(1E,3E)-4-[4-[N-(4-ethoxy-2-ethylphenyl)-4-[(1E,3Z)-4-[4-(N-(4-ethylphenyl)-4-methylanilino)phenyl]buta-1,3-dienyl]anilino]phenyl]buta-1,3-dienyl]phenyl]-N-(4-ethylphenyl)naphthalen-2-amine?
N-[4-[(1E,3E)-4-[4-[N-(4-ethoxy-2-ethylphenyl)-4-[(1E,3Z)-4-[4-(N-(4-ethylphenyl)-4-methylanilino)phenyl]buta-1,3-dienyl]anilino]phenyl]buta-1,3-dienyl]phenyl]-N-(4-ethylphenyl)naphthalen-2-amine has a molecular weight of 1028.40 g/mol, XLogP of 21.10, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1E,3E)-4-[4-[N-(4-ethoxy-2-ethylphenyl)-4-[(1E,3Z)-4-[4-(N-(4-ethylphenyl)-4-methylanilino)phenyl]buta-1,3-dienyl]anilino]phenyl]buta-1,3-dienyl]phenyl]-N-(4-ethylphenyl)naphthalen-2-amine is sourced from PubChem (CID 118245568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).