N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]naphthalen-1-amine

C46H34N2 — CID 59412956

IUPACN,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]naphthalen-1-amine
SMILESC(=C/c1ccc(N(c2ccccc2)c2ccccc2)c2ccccc12)\c1ccc(N(c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C46H34N2/c1-5-17-37(18-6-1)47(38-19-7-2-8-20-38)45-33-31-35(41-25-13-15-27-43(41)45)29-30-36-32-34-46(44-28-16-14-26-42(36)44)48(39-21-9-3-10-22-39)40-23-11-4-12-24-40/h1-34H/b30-29+
InChIKeyUUZHDPGKQDDMEC-QVIHXGFCSA-N
MW614.79 g/mol
LogP13.10
Rot. Bonds8

About N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]naphthalen-1-amine

N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]naphthalen-1-amine (PubChem CID 59412956) has the molecular formula C46H34N2 and a molecular weight of 614.79 g/mol. Its IUPAC name is N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]naphthalen-1-amine
PubChem CID59412956
Molecular FormulaC46H34N2
Molecular Weight614.79 g/mol
Exact Mass614.27
IUPAC NameN,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]naphthalen-1-amine
SMILESC(=C/c1ccc(N(c2ccccc2)c2ccccc2)c2ccccc12)\c1ccc(N(c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C46H34N2/c1-5-17-37(18-6-1)47(38-19-7-2-8-20-38)45-33-31-35(41-25-13-15-27-43(41)45)29-30-36-32-34-46(44-28-16-14-26-42(36)44)48(39-21-9-3-10-22-39)40-23-11-4-12-24-40/h1-34H/b30-29+
InChIKeyUUZHDPGKQDDMEC-QVIHXGFCSA-N
XLogP13.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.79
LogP ≤ 513.10
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,N-diphenyl-4-[4-[4-(N-phenylanilino)naphthalen-1-yl]buta-1,3-dienyl]naphthalen-1-amine
CID 58898602
4-(2-naphthalen-1-ylethenyl)-N,N-diphenylnaphthalen-1-amine
CID 76823036
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-amine
CID 59412951
5-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]thiophene-2-carbaldehyde
CID 139256586
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]ethenyl]aniline
CID 22089651
2-[2,6-bis[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]pyran-4-ylidene]propanedinitrile
CID 11961177
N,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine
CID 20607956
1-N,4-N-bis[4-[2-(4-methylphenyl)ethenyl]phenyl]-1-N,4-N-bis[4-(2-phenylethenyl)phenyl]naphthalene-1,4-diamine
CID 72522022
12-[(E)-2-[4-(4-tert-butyl-N-(3-methylphenyl)anilino)naphthalen-1-yl]ethenyl]-N-(4-tert-butylphenyl)-N-(3-methylphenyl)chrysen-6-amine
CID 59412935
1-N,1-N,4-N,4-N-tetraphenylanthracene-1,4-diamine
CID 59403897
N,N-diphenylnaphthalen-1-amine
CID 11392281
N,N-diphenyl-4-[2,3,6-tris[4-(N-phenylanilino)naphthalen-1-yl]pyrazino[2,3-b]pyrazin-7-yl]naphthalen-1-amine
CID 121444325

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]naphthalen-1-amine?
The IUPAC name of N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]naphthalen-1-amine (CID 59412956) is N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]naphthalen-1-amine.
What is the SMILES notation for N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]naphthalen-1-amine?
The canonical SMILES for N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]naphthalen-1-amine is C(=C/c1ccc(N(c2ccccc2)c2ccccc2)c2ccccc12)\c1ccc(N(c2ccccc2)c2ccccc2)c2ccccc12.
What is the InChIKey of N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]naphthalen-1-amine?
The InChIKey is UUZHDPGKQDDMEC-QVIHXGFCSA-N. The full InChI is InChI=1S/C46H34N2/c1-5-17-37(18-6-1)47(38-19-7-2-8-20-38)45-33-31-35(41-25-13-15-27-43(41)45)29-30-36-32-34-46(44-28-16-14-26-42(36)44)48(39-21-9-3-10-22-39)40-23-11-4-12-24-40/h1-34H/b30-29+.
What are the key properties of N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]naphthalen-1-amine?
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]naphthalen-1-amine has a molecular weight of 614.79 g/mol, XLogP of 13.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]naphthalen-1-amine is sourced from PubChem (CID 59412956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).