N-phenyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-3-undecylaniline

C57H58N2 — CID 130356199

IUPACN-phenyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-3-undecylaniline
SMILESCCCCCCCCCCCc1cccc(N(c2ccccc2)c2ccc(/C=C/c3ccc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)c1
InChIInChI=1S/C57H58N2/c1-2-3-4-5-6-7-8-9-13-21-51-22-20-29-57(46-51)59(54-27-18-12-19-28-54)56-44-40-50(41-45-56)37-35-48-32-30-47(31-33-48)34-36-49-38-42-55(43-39-49)58(52-23-14-10-15-24-52)53-25-16-11-17-26-53/h10-12,14-20,22-46H,2-9,13,21H2,1H3/b36-34+,37-35+
InChIKeyQYNXRGBIONRQIX-VHJMTFITSA-N
MW771.11 g/mol
LogP17.04
Rot. Bonds20

About N-phenyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-3-undecylaniline

N-phenyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-3-undecylaniline (PubChem CID 130356199) has the molecular formula C57H58N2 and a molecular weight of 771.11 g/mol. Its IUPAC name is N-phenyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-3-undecylaniline.

Molecular Properties

Compound NameN-phenyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-3-undecylaniline
PubChem CID130356199
Molecular FormulaC57H58N2
Molecular Weight771.11 g/mol
Exact Mass770.46
IUPAC NameN-phenyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-3-undecylaniline
SMILESCCCCCCCCCCCc1cccc(N(c2ccccc2)c2ccc(/C=C/c3ccc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)c1
InChIInChI=1S/C57H58N2/c1-2-3-4-5-6-7-8-9-13-21-51-22-20-29-57(46-51)59(54-27-18-12-19-28-54)56-44-40-50(41-45-56)37-35-48-32-30-47(31-33-48)34-36-49-38-42-55(43-39-49)58(52-23-14-10-15-24-52)53-25-16-11-17-26-53/h10-12,14-20,22-46H,2-9,13,21H2,1H3/b36-34+,37-35+
InChIKeyQYNXRGBIONRQIX-VHJMTFITSA-N
XLogP17.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.11
LogP ≤ 517.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-phenyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-3-undecylaniline with MolForge

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Related Compounds

3-butyl-N-(3-butylphenyl)-N-phenylaniline
CID 90178850
4-hexyl-N,N-bis[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline
CID 76558986
4-butyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-butylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 22900144
4-pentyl-N,N-bis[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]aniline
CID 134259379
N,N-diphenyl-4-tetradecylaniline
CID 170668082
4-octadecyl-N,N-diphenylaniline
CID 162035815
4-hexyl-N,N-diphenylaniline
CID 20525221
4-hexyl-N-[4-[(E)-2-[10-[(E)-2-phenylethenyl]anthracen-9-yl]ethenyl]phenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]aniline
CID 59518329
[5-(4-butyl-N-(3-butylphenyl)anilino)-2-[(E)-2-[4-[(E)-2-[4-(4-butyl-N-(4-butylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-dimethylsulfanium
CID 173151805
1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine
CID 59745960
N-[4-[3,5-bis[4-(3-butyl-N-(3-butylphenyl)anilino)phenyl]phenyl]phenyl]-3-butyl-N-(3-butylphenyl)aniline
CID 18346375
1-N,4-N-bis(3,5-dibutylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 19842982

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-3-undecylaniline?
The IUPAC name of N-phenyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-3-undecylaniline (CID 130356199) is N-phenyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-3-undecylaniline.
What is the SMILES notation for N-phenyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-3-undecylaniline?
The canonical SMILES for N-phenyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-3-undecylaniline is CCCCCCCCCCCc1cccc(N(c2ccccc2)c2ccc(/C=C/c3ccc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)c1.
What is the InChIKey of N-phenyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-3-undecylaniline?
The InChIKey is QYNXRGBIONRQIX-VHJMTFITSA-N. The full InChI is InChI=1S/C57H58N2/c1-2-3-4-5-6-7-8-9-13-21-51-22-20-29-57(46-51)59(54-27-18-12-19-28-54)56-44-40-50(41-45-56)37-35-48-32-30-47(31-33-48)34-36-49-38-42-55(43-39-49)58(52-23-14-10-15-24-52)53-25-16-11-17-26-53/h10-12,14-20,22-46H,2-9,13,21H2,1H3/b36-34+,37-35+.
What are the key properties of N-phenyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-3-undecylaniline?
N-phenyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-3-undecylaniline has a molecular weight of 771.11 g/mol, XLogP of 17.04, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-3-undecylaniline is sourced from PubChem (CID 130356199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).