N,N-bis(4-methoxyphenyl)-4-[2-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]ethenyl]aniline

C52H39NO2 — CID 59117636

IUPACN,N-bis(4-methoxyphenyl)-4-[2-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]ethenyl]aniline
SMILESCOc1ccc(N(c2ccc(C=Cc3ccc(-c4ccc(-c5cccc6ccccc56)c5ccccc45)c4ccccc34)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C52H39NO2/c1-54-42-29-25-40(26-30-42)53(41-27-31-43(55-2)32-28-41)39-23-19-36(20-24-39)18-21-38-22-33-50(46-14-6-5-13-45(38)46)52-35-34-51(48-15-7-8-16-49(48)52)47-17-9-11-37-10-3-4-12-44(37)47/h3-35H,1-2H3
InChIKeyOSEYMFKISNMCAP-UHFFFAOYSA-N
MW709.89 g/mol
LogP14.14
Rot. Bonds9

About N,N-bis(4-methoxyphenyl)-4-[2-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]ethenyl]aniline

N,N-bis(4-methoxyphenyl)-4-[2-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]ethenyl]aniline (PubChem CID 59117636) has the molecular formula C52H39NO2 and a molecular weight of 709.89 g/mol. Its IUPAC name is N,N-bis(4-methoxyphenyl)-4-[2-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]ethenyl]aniline.

Molecular Properties

Compound NameN,N-bis(4-methoxyphenyl)-4-[2-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]ethenyl]aniline
PubChem CID59117636
Molecular FormulaC52H39NO2
Molecular Weight709.89 g/mol
Exact Mass709.30
IUPAC NameN,N-bis(4-methoxyphenyl)-4-[2-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]ethenyl]aniline
SMILESCOc1ccc(N(c2ccc(C=Cc3ccc(-c4ccc(-c5cccc6ccccc56)c5ccccc45)c4ccccc34)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C52H39NO2/c1-54-42-29-25-40(26-30-42)53(41-27-31-43(55-2)32-28-41)39-23-19-36(20-24-39)18-21-38-22-33-50(46-14-6-5-13-45(38)46)52-35-34-51(48-15-7-8-16-49(48)52)47-17-9-11-37-10-3-4-12-44(37)47/h3-35H,1-2H3
InChIKeyOSEYMFKISNMCAP-UHFFFAOYSA-N
XLogP14.14
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.89
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(4-methoxyphenyl)-4-[2-[2,4,5-tris[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 155888504
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]aniline
CID 58933310
1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene
CID 5092945
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]ethenyl]aniline
CID 22089651
4-[(E)-2-[4-[4-[(E)-2-(4-benzylphenyl)ethenyl]naphthalen-1-yl]naphthalen-1-yl]ethenyl]-N,N-diphenylaniline
CID 89105727
4-[10-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracen-9-yl]-N,N-diphenylaniline
CID 118027309
2,6-bis[(E)-2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]naphthalene-1,5-dicarbonitrile
CID 11297254
4-[2-[2,5-dichloro-4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-N-(4-methoxyphenyl)-N-phenylaniline
CID 59055952
9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]phenyl]anthracene
CID 123964617
N-(4-methoxyphenyl)-N-phenyl-4-[(E)-2-(2,4,5-trimethylphenyl)ethenyl]aniline
CID 14766504
2,6-bis[(E)-2-[4-(4-methoxy-N-naphthalen-1-ylanilino)phenyl]ethenyl]naphthalene-1-carbonitrile
CID 18338876
7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-naphthalen-1-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 59246492

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-methoxyphenyl)-4-[2-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]ethenyl]aniline?
The IUPAC name of N,N-bis(4-methoxyphenyl)-4-[2-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]ethenyl]aniline (CID 59117636) is N,N-bis(4-methoxyphenyl)-4-[2-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]ethenyl]aniline.
What is the SMILES notation for N,N-bis(4-methoxyphenyl)-4-[2-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]ethenyl]aniline?
The canonical SMILES for N,N-bis(4-methoxyphenyl)-4-[2-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]ethenyl]aniline is COc1ccc(N(c2ccc(C=Cc3ccc(-c4ccc(-c5cccc6ccccc56)c5ccccc45)c4ccccc34)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N,N-bis(4-methoxyphenyl)-4-[2-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]ethenyl]aniline?
The InChIKey is OSEYMFKISNMCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39NO2/c1-54-42-29-25-40(26-30-42)53(41-27-31-43(55-2)32-28-41)39-23-19-36(20-24-39)18-21-38-22-33-50(46-14-6-5-13-45(38)46)52-35-34-51(48-15-7-8-16-49(48)52)47-17-9-11-37-10-3-4-12-44(37)47/h3-35H,1-2H3.
What are the key properties of N,N-bis(4-methoxyphenyl)-4-[2-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]ethenyl]aniline?
N,N-bis(4-methoxyphenyl)-4-[2-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]ethenyl]aniline has a molecular weight of 709.89 g/mol, XLogP of 14.14, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-methoxyphenyl)-4-[2-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]ethenyl]aniline is sourced from PubChem (CID 59117636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).