1-(3-chloronaphthalen-2-yl)-N-[2-[(3-chloronaphthalen-2-yl)methylideneamino]phenyl]methanimine

C28H18Cl2N2 — CID 10766095

IUPAC1-(3-chloronaphthalen-2-yl)-N-[2-[(3-chloronaphthalen-2-yl)methylideneamino]phenyl]methanimine
SMILESClc1cc2ccccc2cc1/C=N/c1ccccc1/N=C/c1cc2ccccc2cc1Cl
InChIInChI=1S/C28H18Cl2N2/c29-25-15-21-9-3-1-7-19(21)13-23(25)17-31-27-11-5-6-12-28(27)32-18-24-14-20-8-2-4-10-22(20)16-26(24)30/h1-18H/b31-17+,32-18+
InChIKeyOZEMDYMKHLNZPC-LTTYKRRRSA-N
MW453.37 g/mol
LogP8.80
Rot. Bonds4

About 1-(3-chloronaphthalen-2-yl)-N-[2-[(3-chloronaphthalen-2-yl)methylideneamino]phenyl]methanimine

1-(3-chloronaphthalen-2-yl)-N-[2-[(3-chloronaphthalen-2-yl)methylideneamino]phenyl]methanimine (PubChem CID 10766095) has the molecular formula C28H18Cl2N2 and a molecular weight of 453.37 g/mol. Its IUPAC name is 1-(3-chloronaphthalen-2-yl)-N-[2-[(3-chloronaphthalen-2-yl)methylideneamino]phenyl]methanimine.

Molecular Properties

Compound Name1-(3-chloronaphthalen-2-yl)-N-[2-[(3-chloronaphthalen-2-yl)methylideneamino]phenyl]methanimine
PubChem CID10766095
Molecular FormulaC28H18Cl2N2
Molecular Weight453.37 g/mol
Exact Mass452.08
IUPAC Name1-(3-chloronaphthalen-2-yl)-N-[2-[(3-chloronaphthalen-2-yl)methylideneamino]phenyl]methanimine
SMILESClc1cc2ccccc2cc1/C=N/c1ccccc1/N=C/c1cc2ccccc2cc1Cl
InChIInChI=1S/C28H18Cl2N2/c29-25-15-21-9-3-1-7-19(21)13-23(25)17-31-27-11-5-6-12-28(27)32-18-24-14-20-8-2-4-10-22(20)16-26(24)30/h1-18H/b31-17+,32-18+
InChIKeyOZEMDYMKHLNZPC-LTTYKRRRSA-N
XLogP8.80
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.37
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloronaphthalen-2-yl)-N-[2-[(3-chloronaphthalen-2-yl)methylideneamino]phenyl]methanimine?
The IUPAC name of 1-(3-chloronaphthalen-2-yl)-N-[2-[(3-chloronaphthalen-2-yl)methylideneamino]phenyl]methanimine (CID 10766095) is 1-(3-chloronaphthalen-2-yl)-N-[2-[(3-chloronaphthalen-2-yl)methylideneamino]phenyl]methanimine.
What is the SMILES notation for 1-(3-chloronaphthalen-2-yl)-N-[2-[(3-chloronaphthalen-2-yl)methylideneamino]phenyl]methanimine?
The canonical SMILES for 1-(3-chloronaphthalen-2-yl)-N-[2-[(3-chloronaphthalen-2-yl)methylideneamino]phenyl]methanimine is Clc1cc2ccccc2cc1/C=N/c1ccccc1/N=C/c1cc2ccccc2cc1Cl.
What is the InChIKey of 1-(3-chloronaphthalen-2-yl)-N-[2-[(3-chloronaphthalen-2-yl)methylideneamino]phenyl]methanimine?
The InChIKey is OZEMDYMKHLNZPC-LTTYKRRRSA-N. The full InChI is InChI=1S/C28H18Cl2N2/c29-25-15-21-9-3-1-7-19(21)13-23(25)17-31-27-11-5-6-12-28(27)32-18-24-14-20-8-2-4-10-22(20)16-26(24)30/h1-18H/b31-17+,32-18+.
What are the key properties of 1-(3-chloronaphthalen-2-yl)-N-[2-[(3-chloronaphthalen-2-yl)methylideneamino]phenyl]methanimine?
1-(3-chloronaphthalen-2-yl)-N-[2-[(3-chloronaphthalen-2-yl)methylideneamino]phenyl]methanimine has a molecular weight of 453.37 g/mol, XLogP of 8.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloronaphthalen-2-yl)-N-[2-[(3-chloronaphthalen-2-yl)methylideneamino]phenyl]methanimine is sourced from PubChem (CID 10766095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).