N-[4-[3-[4-[N-naphthalen-1-yl-4-(2-phenylethenyl)anilino]phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine

C82H58N2 — CID 76601630

IUPACN-[4-[3-[4-[N-naphthalen-1-yl-4-(2-phenylethenyl)anilino]phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine
SMILESC(=Cc1ccc(N(c2ccc(-c3c(-c4ccc(N(c5ccc(C=Cc6ccccc6)cc5)c5cccc6ccccc56)cc4)c(-c4ccccc4)c4ccccc4c3-c3ccccc3)cc2)c2cccc3ccccc23)cc1)c1ccccc1
InChIInChI=1S/C82H58N2/c1-5-21-59(22-6-1)39-41-61-43-51-69(52-44-61)83(77-37-19-31-63-25-13-15-33-73(63)77)71-55-47-67(48-56-71)81-79(65-27-9-3-10-28-65)75-35-17-18-36-76(75)80(66-29-11-4-12-30-66)82(81)68-49-57-72(58-50-68)84(78-38-20-32-64-26-14-16-34-74(64)78)70-53-45-62(46-54-70)42-40-60-23-7-2-8-24-60/h1-58H
InChIKeyPIPXLZVXIVCFSD-UHFFFAOYSA-N
MW1071.38 g/mol
LogP23.09
Rot. Bonds14

About N-[4-[3-[4-[N-naphthalen-1-yl-4-(2-phenylethenyl)anilino]phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine

N-[4-[3-[4-[N-naphthalen-1-yl-4-(2-phenylethenyl)anilino]phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine (PubChem CID 76601630) has the molecular formula C82H58N2 and a molecular weight of 1071.38 g/mol. Its IUPAC name is N-[4-[3-[4-[N-naphthalen-1-yl-4-(2-phenylethenyl)anilino]phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[3-[4-[N-naphthalen-1-yl-4-(2-phenylethenyl)anilino]phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine
PubChem CID76601630
Molecular FormulaC82H58N2
Molecular Weight1071.38 g/mol
Exact Mass1070.46
IUPAC NameN-[4-[3-[4-[N-naphthalen-1-yl-4-(2-phenylethenyl)anilino]phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine
SMILESC(=Cc1ccc(N(c2ccc(-c3c(-c4ccc(N(c5ccc(C=Cc6ccccc6)cc5)c5cccc6ccccc56)cc4)c(-c4ccccc4)c4ccccc4c3-c3ccccc3)cc2)c2cccc3ccccc23)cc1)c1ccccc1
InChIInChI=1S/C82H58N2/c1-5-21-59(22-6-1)39-41-61-43-51-69(52-44-61)83(77-37-19-31-63-25-13-15-33-73(63)77)71-55-47-67(48-56-71)81-79(65-27-9-3-10-28-65)75-35-17-18-36-76(75)80(66-29-11-4-12-30-66)82(81)68-49-57-72(58-50-68)84(78-38-20-32-64-26-14-16-34-74(64)78)70-53-45-62(46-54-70)42-40-60-23-7-2-8-24-60/h1-58H
InChIKeyPIPXLZVXIVCFSD-UHFFFAOYSA-N
XLogP23.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001071.38
LogP ≤ 523.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-[3-[4-[N-naphthalen-1-yl-4-(2-phenylethenyl)anilino]phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine with MolForge

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Related Compounds

N-[4-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 123325519
N-[4-[(Z)-2-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 160623452
N-naphthalen-1-yl-N-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]naphthalen-1-amine
CID 59575121
N-[4-[12-[4-[N-naphthalen-1-yl-4-[(Z)-2-phenylethenyl]anilino]phenyl]chrysen-6-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine
CID 163884704
N,N-diphenyl-4-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline;4-methyl-N-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;4-methyl-N-[4-[2-[4-[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline;N-[4-[4-[N-naphthalen-1-yl-4-(2-phenylethenyl)anilino]phenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine
CID 161488206
N-[4-[(E)-2-[10-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 143438529
N-naphthalen-1-yl-N-[4-[4-[(E)-2-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-2-amine
CID 58511479
N-[4-[4-[(E)-2-[4-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(4-tert-butylphenyl)naphthalen-1-amine
CID 89068086
1-N-phenyl-4-N-[4-[10-[4-(N-phenylanilino)phenyl]anthracen-9-yl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine
CID 22983474
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-[N-naphthalen-1-yl-4-(2-phenylethenyl)anilino]phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine?
The IUPAC name of N-[4-[3-[4-[N-naphthalen-1-yl-4-(2-phenylethenyl)anilino]phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine (CID 76601630) is N-[4-[3-[4-[N-naphthalen-1-yl-4-(2-phenylethenyl)anilino]phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-[4-[3-[4-[N-naphthalen-1-yl-4-(2-phenylethenyl)anilino]phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-[4-[3-[4-[N-naphthalen-1-yl-4-(2-phenylethenyl)anilino]phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine is C(=Cc1ccc(N(c2ccc(-c3c(-c4ccc(N(c5ccc(C=Cc6ccccc6)cc5)c5cccc6ccccc56)cc4)c(-c4ccccc4)c4ccccc4c3-c3ccccc3)cc2)c2cccc3ccccc23)cc1)c1ccccc1.
What is the InChIKey of N-[4-[3-[4-[N-naphthalen-1-yl-4-(2-phenylethenyl)anilino]phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine?
The InChIKey is PIPXLZVXIVCFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H58N2/c1-5-21-59(22-6-1)39-41-61-43-51-69(52-44-61)83(77-37-19-31-63-25-13-15-33-73(63)77)71-55-47-67(48-56-71)81-79(65-27-9-3-10-28-65)75-35-17-18-36-76(75)80(66-29-11-4-12-30-66)82(81)68-49-57-72(58-50-68)84(78-38-20-32-64-26-14-16-34-74(64)78)70-53-45-62(46-54-70)42-40-60-23-7-2-8-24-60/h1-58H.
What are the key properties of N-[4-[3-[4-[N-naphthalen-1-yl-4-(2-phenylethenyl)anilino]phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine?
N-[4-[3-[4-[N-naphthalen-1-yl-4-(2-phenylethenyl)anilino]phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine has a molecular weight of 1071.38 g/mol, XLogP of 23.09, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[4-[N-naphthalen-1-yl-4-(2-phenylethenyl)anilino]phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 76601630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).