1-N,3-N-bis(3-chloro-4-methylphenyl)indene-1,3-diimine

C23H18Cl2N2 — CID 94849572

IUPAC1-N,3-N-bis(3-chloro-4-methylphenyl)indene-1,3-diimine
SMILESCc1ccc(/N=C2\C/C(=N\c3ccc(C)c(Cl)c3)c3ccccc32)cc1Cl
InChIInChI=1S/C23H18Cl2N2/c1-14-7-9-16(11-20(14)24)26-22-13-23(19-6-4-3-5-18(19)22)27-17-10-8-15(2)21(25)12-17/h3-12H,13H2,1-2H3/b26-22+,27-23+
InChIKeySOASIOGZFDHVKO-GEECTANVSA-N
MW393.32 g/mol
LogP7.26
Rot. Bonds2

About 1-N,3-N-bis(3-chloro-4-methylphenyl)indene-1,3-diimine

1-N,3-N-bis(3-chloro-4-methylphenyl)indene-1,3-diimine (PubChem CID 94849572) has the molecular formula C23H18Cl2N2 and a molecular weight of 393.32 g/mol. Its IUPAC name is 1-N,3-N-bis(3-chloro-4-methylphenyl)indene-1,3-diimine.

Molecular Properties

Compound Name1-N,3-N-bis(3-chloro-4-methylphenyl)indene-1,3-diimine
PubChem CID94849572
Molecular FormulaC23H18Cl2N2
Molecular Weight393.32 g/mol
Exact Mass392.08
IUPAC Name1-N,3-N-bis(3-chloro-4-methylphenyl)indene-1,3-diimine
SMILESCc1ccc(/N=C2\C/C(=N\c3ccc(C)c(Cl)c3)c3ccccc32)cc1Cl
InChIInChI=1S/C23H18Cl2N2/c1-14-7-9-16(11-20(14)24)26-22-13-23(19-6-4-3-5-18(19)22)27-17-10-8-15(2)21(25)12-17/h3-12H,13H2,1-2H3/b26-22+,27-23+
InChIKeySOASIOGZFDHVKO-GEECTANVSA-N
XLogP7.26
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.32
LogP ≤ 57.26
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-N,3-N-bis(3-chloro-4-methylphenyl)indene-1,3-diimine?
The IUPAC name of 1-N,3-N-bis(3-chloro-4-methylphenyl)indene-1,3-diimine (CID 94849572) is 1-N,3-N-bis(3-chloro-4-methylphenyl)indene-1,3-diimine.
What is the SMILES notation for 1-N,3-N-bis(3-chloro-4-methylphenyl)indene-1,3-diimine?
The canonical SMILES for 1-N,3-N-bis(3-chloro-4-methylphenyl)indene-1,3-diimine is Cc1ccc(/N=C2\C/C(=N\c3ccc(C)c(Cl)c3)c3ccccc32)cc1Cl.
What is the InChIKey of 1-N,3-N-bis(3-chloro-4-methylphenyl)indene-1,3-diimine?
The InChIKey is SOASIOGZFDHVKO-GEECTANVSA-N. The full InChI is InChI=1S/C23H18Cl2N2/c1-14-7-9-16(11-20(14)24)26-22-13-23(19-6-4-3-5-18(19)22)27-17-10-8-15(2)21(25)12-17/h3-12H,13H2,1-2H3/b26-22+,27-23+.
What are the key properties of 1-N,3-N-bis(3-chloro-4-methylphenyl)indene-1,3-diimine?
1-N,3-N-bis(3-chloro-4-methylphenyl)indene-1,3-diimine has a molecular weight of 393.32 g/mol, XLogP of 7.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(3-chloro-4-methylphenyl)indene-1,3-diimine is sourced from PubChem (CID 94849572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).