N-naphthalen-1-yl-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]-N-phenylnaphthalen-2-amine

C50H36N2 — CID 59270592

IUPACN-naphthalen-1-yl-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]-N-phenylnaphthalen-2-amine
SMILESC(=C/c1ccc2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2c1)\c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C50H36N2/c1-3-17-43(18-4-1)51(49-23-11-15-39-13-7-9-21-47(39)49)45-32-28-37(29-33-45)25-26-38-27-30-42-36-46(34-31-41(42)35-38)52(44-19-5-2-6-20-44)50-24-12-16-40-14-8-10-22-48(40)50/h1-36H/b26-25+
InChIKeyPGSVJKRPGZOUBG-OCEACIFDSA-N
MW664.85 g/mol
LogP14.26
Rot. Bonds8

About N-naphthalen-1-yl-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]-N-phenylnaphthalen-2-amine

N-naphthalen-1-yl-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]-N-phenylnaphthalen-2-amine (PubChem CID 59270592) has the molecular formula C50H36N2 and a molecular weight of 664.85 g/mol. Its IUPAC name is N-naphthalen-1-yl-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]-N-phenylnaphthalen-2-amine
PubChem CID59270592
Molecular FormulaC50H36N2
Molecular Weight664.85 g/mol
Exact Mass664.29
IUPAC NameN-naphthalen-1-yl-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]-N-phenylnaphthalen-2-amine
SMILESC(=C/c1ccc2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2c1)\c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C50H36N2/c1-3-17-43(18-4-1)51(49-23-11-15-39-13-7-9-21-47(39)49)45-32-28-37(29-33-45)25-26-38-27-30-42-36-46(34-31-41(42)35-38)52(44-19-5-2-6-20-44)50-24-12-16-40-14-8-10-22-48(40)50/h1-36H/b26-25+
InChIKeyPGSVJKRPGZOUBG-OCEACIFDSA-N
XLogP14.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.85
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]ethenyl]-N-phenylnaphthalen-2-amine
CID 58870889
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-[(E)-2-anthracen-2-ylethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 20801917
N-[4-[2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 91122329
N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-yl-4-trimethylsilylanilino)naphthalen-2-yl]ethenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine
CID 140926321
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 58598982
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-[4-[(E)-2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 89067707
N-[4-[(E)-2-[6-(N-anthracen-9-ylanilino)naphthalen-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine
CID 59270571
6-[naphthalen-1-yl(naphthalen-2-yl)amino]naphthalene-2-carbaldehyde
CID 88907178
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 158284393
N,N-diphenylaniline;N,N-diphenylnaphthalen-1-amine;N,N-diphenylnaphthalen-2-amine;ethane;N-naphthalen-1-yl-N-phenylnaphthalen-1-amine;N-naphthalen-1-yl-N-phenylnaphthalen-2-amine;N-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 161430896

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-naphthalen-1-yl-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]-N-phenylnaphthalen-2-amine (CID 59270592) is N-naphthalen-1-yl-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-naphthalen-1-yl-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-naphthalen-1-yl-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]-N-phenylnaphthalen-2-amine is C(=C/c1ccc2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2c1)\c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-naphthalen-1-yl-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is PGSVJKRPGZOUBG-OCEACIFDSA-N. The full InChI is InChI=1S/C50H36N2/c1-3-17-43(18-4-1)51(49-23-11-15-39-13-7-9-21-47(39)49)45-32-28-37(29-33-45)25-26-38-27-30-42-36-46(34-31-41(42)35-38)52(44-19-5-2-6-20-44)50-24-12-16-40-14-8-10-22-48(40)50/h1-36H/b26-25+.
What are the key properties of N-naphthalen-1-yl-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]-N-phenylnaphthalen-2-amine?
N-naphthalen-1-yl-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 664.85 g/mol, XLogP of 14.26, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 59270592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).