N-[4-[2-[4-(naphthalen-1-ylamino)phenyl]ethenyl]phenyl]naphthalen-1-amine

C34H26N2 — CID 69417086

IUPACN-[4-[2-[4-(naphthalen-1-ylamino)phenyl]ethenyl]phenyl]naphthalen-1-amine
SMILESC(=Cc1ccc(Nc2cccc3ccccc23)cc1)c1ccc(Nc2cccc3ccccc23)cc1
InChIInChI=1S/C34H26N2/c1-3-11-31-27(7-1)9-5-13-33(31)35-29-21-17-25(18-22-29)15-16-26-19-23-30(24-20-26)36-34-14-6-10-28-8-2-4-12-32(28)34/h1-24,35-36H
InChIKeyYMRKRVXNBOWVRH-UHFFFAOYSA-N
MW462.60 g/mol
LogP9.65
Rot. Bonds6

About N-[4-[2-[4-(naphthalen-1-ylamino)phenyl]ethenyl]phenyl]naphthalen-1-amine

N-[4-[2-[4-(naphthalen-1-ylamino)phenyl]ethenyl]phenyl]naphthalen-1-amine (PubChem CID 69417086) has the molecular formula C34H26N2 and a molecular weight of 462.60 g/mol. Its IUPAC name is N-[4-[2-[4-(naphthalen-1-ylamino)phenyl]ethenyl]phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[2-[4-(naphthalen-1-ylamino)phenyl]ethenyl]phenyl]naphthalen-1-amine
PubChem CID69417086
Molecular FormulaC34H26N2
Molecular Weight462.60 g/mol
Exact Mass462.21
IUPAC NameN-[4-[2-[4-(naphthalen-1-ylamino)phenyl]ethenyl]phenyl]naphthalen-1-amine
SMILESC(=Cc1ccc(Nc2cccc3ccccc23)cc1)c1ccc(Nc2cccc3ccccc23)cc1
InChIInChI=1S/C34H26N2/c1-3-11-31-27(7-1)9-5-13-33(31)35-29-21-17-25(18-22-29)15-16-26-19-23-30(24-20-26)36-34-14-6-10-28-8-2-4-12-32(28)34/h1-24,35-36H
InChIKeyYMRKRVXNBOWVRH-UHFFFAOYSA-N
XLogP9.65
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.60
LogP ≤ 59.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(naphthalen-1-ylamino)phenyl]ethenyl]phenyl]naphthalen-1-amine?
The IUPAC name of N-[4-[2-[4-(naphthalen-1-ylamino)phenyl]ethenyl]phenyl]naphthalen-1-amine (CID 69417086) is N-[4-[2-[4-(naphthalen-1-ylamino)phenyl]ethenyl]phenyl]naphthalen-1-amine.
What is the SMILES notation for N-[4-[2-[4-(naphthalen-1-ylamino)phenyl]ethenyl]phenyl]naphthalen-1-amine?
The canonical SMILES for N-[4-[2-[4-(naphthalen-1-ylamino)phenyl]ethenyl]phenyl]naphthalen-1-amine is C(=Cc1ccc(Nc2cccc3ccccc23)cc1)c1ccc(Nc2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-[2-[4-(naphthalen-1-ylamino)phenyl]ethenyl]phenyl]naphthalen-1-amine?
The InChIKey is YMRKRVXNBOWVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N2/c1-3-11-31-27(7-1)9-5-13-33(31)35-29-21-17-25(18-22-29)15-16-26-19-23-30(24-20-26)36-34-14-6-10-28-8-2-4-12-32(28)34/h1-24,35-36H.
What are the key properties of N-[4-[2-[4-(naphthalen-1-ylamino)phenyl]ethenyl]phenyl]naphthalen-1-amine?
N-[4-[2-[4-(naphthalen-1-ylamino)phenyl]ethenyl]phenyl]naphthalen-1-amine has a molecular weight of 462.60 g/mol, XLogP of 9.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(naphthalen-1-ylamino)phenyl]ethenyl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 69417086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).