N-[2-chloro-4-[[3-chloro-4-[(4-chlorophenyl)methylideneamino]phenyl]methyl]phenyl]-1-(4-chlorophenyl)methanimine

C27H18Cl4N2 — CID 3571946

IUPACN-[2-chloro-4-[[3-chloro-4-[(4-chlorophenyl)methylideneamino]phenyl]methyl]phenyl]-1-(4-chlorophenyl)methanimine
SMILESClc1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(Cl)cc4)c(Cl)c3)cc2Cl)cc1
InChIInChI=1S/C27H18Cl4N2/c28-22-7-1-18(2-8-22)16-32-26-11-5-20(14-24(26)30)13-21-6-12-27(25(31)15-21)33-17-19-3-9-23(29)10-4-19/h1-12,14-17H,13H2/b32-16+,33-17+
InChIKeyAYWCRFAEXYRMGW-CBLSGYJOSA-N
MW512.27 g/mol
LogP9.39
Rot. Bonds6

About N-[2-chloro-4-[[3-chloro-4-[(4-chlorophenyl)methylideneamino]phenyl]methyl]phenyl]-1-(4-chlorophenyl)methanimine

N-[2-chloro-4-[[3-chloro-4-[(4-chlorophenyl)methylideneamino]phenyl]methyl]phenyl]-1-(4-chlorophenyl)methanimine (PubChem CID 3571946) has the molecular formula C27H18Cl4N2 and a molecular weight of 512.27 g/mol. Its IUPAC name is N-[2-chloro-4-[[3-chloro-4-[(4-chlorophenyl)methylideneamino]phenyl]methyl]phenyl]-1-(4-chlorophenyl)methanimine.

Molecular Properties

Compound NameN-[2-chloro-4-[[3-chloro-4-[(4-chlorophenyl)methylideneamino]phenyl]methyl]phenyl]-1-(4-chlorophenyl)methanimine
PubChem CID3571946
Molecular FormulaC27H18Cl4N2
Molecular Weight512.27 g/mol
Exact Mass510.02
IUPAC NameN-[2-chloro-4-[[3-chloro-4-[(4-chlorophenyl)methylideneamino]phenyl]methyl]phenyl]-1-(4-chlorophenyl)methanimine
SMILESClc1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(Cl)cc4)c(Cl)c3)cc2Cl)cc1
InChIInChI=1S/C27H18Cl4N2/c28-22-7-1-18(2-8-22)16-32-26-11-5-20(14-24(26)30)13-21-6-12-27(25(31)15-21)33-17-19-3-9-23(29)10-4-19/h1-12,14-17H,13H2/b32-16+,33-17+
InChIKeyAYWCRFAEXYRMGW-CBLSGYJOSA-N
XLogP9.39
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.27
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-Bis(4-chlorobenzylidene)-1,4-phenylenediamine
CID 328193
2,8-Dichloro-6,12-diphenyldibenzo[b,f][1,5]diazocine
CID 19276
4,4'-Methylenebis(N-benzylideneaniline)
CID 633047
N-[4-[2-[4-(benzylideneamino)phenyl]ethyl]phenyl]-1-phenylmethanimine
CID 11315240
N,N'-Bis(4-chlorobenzylidene)benzidine
CID 634695
N,N'-Bis((4-chlorophenyl)methylene)-6,12-diphenyldibenzo(b,f)(1,5)diazocine-2,8-diamine
CID 3076114
1-(4-chlorophenyl)-N-[4-[2-[4-[(4-chlorophenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine
CID 11305634
N-(2-chlorophenyl)-1-[4-[(2-chlorophenyl)iminomethyl]phenyl]methanimine
CID 317649
1-(4-chlorophenyl)-2-(4-fluorophenyl)-N-(4-methylphenyl)-N'-(2-phenylethyl)ethane-1,2-diimine
CID 72192483
1-(4-chlorophenyl)-2-(4-fluorophenyl)-N-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diimine
CID 102107299
1-(4-chlorophenyl)-2-(4-fluorophenyl)-N'-methyl-N-(4-methylphenyl)ethane-1,2-diimine
CID 102107300
N,N'-(Methylenebis(2-fluoro-4,1-phenylene))bis(1-(4-chlorophenyl)methanimine)
CID 177256723

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[[3-chloro-4-[(4-chlorophenyl)methylideneamino]phenyl]methyl]phenyl]-1-(4-chlorophenyl)methanimine?
The IUPAC name of N-[2-chloro-4-[[3-chloro-4-[(4-chlorophenyl)methylideneamino]phenyl]methyl]phenyl]-1-(4-chlorophenyl)methanimine (CID 3571946) is N-[2-chloro-4-[[3-chloro-4-[(4-chlorophenyl)methylideneamino]phenyl]methyl]phenyl]-1-(4-chlorophenyl)methanimine.
What is the SMILES notation for N-[2-chloro-4-[[3-chloro-4-[(4-chlorophenyl)methylideneamino]phenyl]methyl]phenyl]-1-(4-chlorophenyl)methanimine?
The canonical SMILES for N-[2-chloro-4-[[3-chloro-4-[(4-chlorophenyl)methylideneamino]phenyl]methyl]phenyl]-1-(4-chlorophenyl)methanimine is Clc1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(Cl)cc4)c(Cl)c3)cc2Cl)cc1.
What is the InChIKey of N-[2-chloro-4-[[3-chloro-4-[(4-chlorophenyl)methylideneamino]phenyl]methyl]phenyl]-1-(4-chlorophenyl)methanimine?
The InChIKey is AYWCRFAEXYRMGW-CBLSGYJOSA-N. The full InChI is InChI=1S/C27H18Cl4N2/c28-22-7-1-18(2-8-22)16-32-26-11-5-20(14-24(26)30)13-21-6-12-27(25(31)15-21)33-17-19-3-9-23(29)10-4-19/h1-12,14-17H,13H2/b32-16+,33-17+.
What are the key properties of N-[2-chloro-4-[[3-chloro-4-[(4-chlorophenyl)methylideneamino]phenyl]methyl]phenyl]-1-(4-chlorophenyl)methanimine?
N-[2-chloro-4-[[3-chloro-4-[(4-chlorophenyl)methylideneamino]phenyl]methyl]phenyl]-1-(4-chlorophenyl)methanimine has a molecular weight of 512.27 g/mol, XLogP of 9.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[[3-chloro-4-[(4-chlorophenyl)methylideneamino]phenyl]methyl]phenyl]-1-(4-chlorophenyl)methanimine is sourced from PubChem (CID 3571946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).