N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine

C48H36N2 — CID 89067663

IUPACN-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESC(=C/c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3ccccc3c2)cc1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C48H36N2/c1-4-12-39(13-5-1)41-26-33-47(34-27-41)50(48-35-28-40-14-10-11-15-42(40)36-48)46-31-24-38(25-32-46)21-20-37-22-29-45(30-23-37)49(43-16-6-2-7-17-43)44-18-8-3-9-19-44/h1-36H/b21-20+
InChIKeyVEIKCNXTTPEUHN-QZQOTICOSA-N
MW640.83 g/mol
LogP13.62
Rot. Bonds9

About N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine

N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine (PubChem CID 89067663) has the molecular formula C48H36N2 and a molecular weight of 640.83 g/mol. Its IUPAC name is N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
PubChem CID89067663
Molecular FormulaC48H36N2
Molecular Weight640.83 g/mol
Exact Mass640.29
IUPAC NameN-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESC(=C/c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3ccccc3c2)cc1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C48H36N2/c1-4-12-39(13-5-1)41-26-33-47(34-27-41)50(48-35-28-40-14-10-11-15-42(40)36-48)46-31-24-38(25-32-46)21-20-37-22-29-45(30-23-37)49(43-16-6-2-7-17-43)44-18-8-3-9-19-44/h1-36H/b21-20+
InChIKeyVEIKCNXTTPEUHN-QZQOTICOSA-N
XLogP13.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.83
LogP ≤ 513.62
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-2-yl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 91472292
N,N-diphenyl-6-[2-[6-[2-(4-phenylphenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-amine
CID 72565650
N-[4-[2-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 91011081
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881
4-[N-naphthalen-2-yl-4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino]benzonitrile
CID 90837425
N-phenyl-N-(4-phenylphenyl)-4-[(E)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]aniline
CID 58715854
2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine
CID 166917050
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline
CID 59533083
4-ethenyl-N,N-bis(4-phenylphenyl)aniline;N-(4-ethenylphenyl)-N-phenylanthracen-2-amine;N-(4-ethenylphenyl)-N-phenylnaphthalen-2-amine;4-ethenyl-N-phenyl-N-(4-phenylphenyl)aniline
CID 159518659
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The IUPAC name of N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine (CID 89067663) is N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is C(=C/c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3ccccc3c2)cc1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The InChIKey is VEIKCNXTTPEUHN-QZQOTICOSA-N. The full InChI is InChI=1S/C48H36N2/c1-4-12-39(13-5-1)41-26-33-47(34-27-41)50(48-35-28-40-14-10-11-15-42(40)36-48)46-31-24-38(25-32-46)21-20-37-22-29-45(30-23-37)49(43-16-6-2-7-17-43)44-18-8-3-9-19-44/h1-36H/b21-20+.
What are the key properties of N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine has a molecular weight of 640.83 g/mol, XLogP of 13.62, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 89067663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).