N-methyl-N-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]naphthalen-1-amine

C29H23N — CID 58583928

IUPACN-methyl-N-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]naphthalen-1-amine
SMILESCN(c1ccc(/C=C/c2ccc3ccccc3c2)cc1)c1cccc2ccccc12
InChIInChI=1S/C29H23N/c1-30(29-12-6-10-25-8-4-5-11-28(25)29)27-19-16-22(17-20-27)13-14-23-15-18-24-7-2-3-9-26(24)21-23/h2-21H,1H3/b14-13+
InChIKeyJMNJIYLOADWBGJ-BUHFOSPRSA-N
MW385.51 g/mol
LogP7.93
Rot. Bonds4

About N-methyl-N-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]naphthalen-1-amine

N-methyl-N-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]naphthalen-1-amine (PubChem CID 58583928) has the molecular formula C29H23N and a molecular weight of 385.51 g/mol. Its IUPAC name is N-methyl-N-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-methyl-N-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]naphthalen-1-amine
PubChem CID58583928
Molecular FormulaC29H23N
Molecular Weight385.51 g/mol
Exact Mass385.18
IUPAC NameN-methyl-N-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]naphthalen-1-amine
SMILESCN(c1ccc(/C=C/c2ccc3ccccc3c2)cc1)c1cccc2ccccc12
InChIInChI=1S/C29H23N/c1-30(29-12-6-10-25-8-4-5-11-28(25)29)27-19-16-22(17-20-27)13-14-23-15-18-24-7-2-3-9-26(24)21-23/h2-21H,1H3/b14-13+
InChIKeyJMNJIYLOADWBGJ-BUHFOSPRSA-N
XLogP7.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methyl-N-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]naphthalen-1-amine?
The IUPAC name of N-methyl-N-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]naphthalen-1-amine (CID 58583928) is N-methyl-N-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]naphthalen-1-amine.
What is the SMILES notation for N-methyl-N-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]naphthalen-1-amine?
The canonical SMILES for N-methyl-N-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]naphthalen-1-amine is CN(c1ccc(/C=C/c2ccc3ccccc3c2)cc1)c1cccc2ccccc12.
What is the InChIKey of N-methyl-N-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]naphthalen-1-amine?
The InChIKey is JMNJIYLOADWBGJ-BUHFOSPRSA-N. The full InChI is InChI=1S/C29H23N/c1-30(29-12-6-10-25-8-4-5-11-28(25)29)27-19-16-22(17-20-27)13-14-23-15-18-24-7-2-3-9-26(24)21-23/h2-21H,1H3/b14-13+.
What are the key properties of N-methyl-N-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]naphthalen-1-amine?
N-methyl-N-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]naphthalen-1-amine has a molecular weight of 385.51 g/mol, XLogP of 7.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 58583928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).