1-[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylideneamino]methanimine

C32H22Cl4N4 — CID 3938272

IUPAC1-[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylideneamino]methanimine
SMILESClc1cccc(Cl)c1Cn1cc(C=NN=Cc2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)c2ccccc21
InChIInChI=1S/C32H22Cl4N4/c33-27-9-5-10-28(34)25(27)19-39-17-21(23-7-1-3-13-31(23)39)15-37-38-16-22-18-40(32-14-4-2-8-24(22)32)20-26-29(35)11-6-12-30(26)36/h1-18H,19-20H2
InChIKeyRDKGPVHIBRQABA-UHFFFAOYSA-N
MW604.37 g/mol
LogP9.76
Rot. Bonds7

About 1-[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylideneamino]methanimine

1-[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylideneamino]methanimine (PubChem CID 3938272) has the molecular formula C32H22Cl4N4 and a molecular weight of 604.37 g/mol. Its IUPAC name is 1-[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylideneamino]methanimine.

Molecular Properties

Compound Name1-[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylideneamino]methanimine
PubChem CID3938272
Molecular FormulaC32H22Cl4N4
Molecular Weight604.37 g/mol
Exact Mass602.06
IUPAC Name1-[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylideneamino]methanimine
SMILESClc1cccc(Cl)c1Cn1cc(C=NN=Cc2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)c2ccccc21
InChIInChI=1S/C32H22Cl4N4/c33-27-9-5-10-28(34)25(27)19-39-17-21(23-7-1-3-13-31(23)39)15-37-38-16-22-18-40(32-14-4-2-8-24(22)32)20-26-29(35)11-6-12-30(26)36/h1-18H,19-20H2
InChIKeyRDKGPVHIBRQABA-UHFFFAOYSA-N
XLogP9.76
TPSA34.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.37
LogP ≤ 59.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]indol-1-yl]methyl]benzonitrile
CID 19060384
5-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135439420
1-[(2,3-dichlorophenyl)methyl]indole-3-carbaldehyde
CID 107307208
(5Z)-5-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylidene]-3-propyl-1,3-thiazolidine-2,4-dione
CID 126364075
3-benzyl-5-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3820907
(5E)-5-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 50873222
(5E)-5-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 50873417
1-(2,6-dichlorophenyl)-N-[(E)-(1-methylindol-3-yl)methylideneamino]methanamine
CID 19060080
[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]urea
CID 3801394
(5E)-3-(4-chlorophenyl)-5-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 50873543
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]hydroxylamine
CID 3972019
methyl N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]carbamate
CID 6864443

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylideneamino]methanimine?
The IUPAC name of 1-[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylideneamino]methanimine (CID 3938272) is 1-[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylideneamino]methanimine.
What is the SMILES notation for 1-[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylideneamino]methanimine?
The canonical SMILES for 1-[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylideneamino]methanimine is Clc1cccc(Cl)c1Cn1cc(C=NN=Cc2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)c2ccccc21.
What is the InChIKey of 1-[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylideneamino]methanimine?
The InChIKey is RDKGPVHIBRQABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22Cl4N4/c33-27-9-5-10-28(34)25(27)19-39-17-21(23-7-1-3-13-31(23)39)15-37-38-16-22-18-40(32-14-4-2-8-24(22)32)20-26-29(35)11-6-12-30(26)36/h1-18H,19-20H2.
What are the key properties of 1-[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylideneamino]methanimine?
1-[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylideneamino]methanimine has a molecular weight of 604.37 g/mol, XLogP of 9.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylideneamino]methanimine is sourced from PubChem (CID 3938272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).