N-(4-chlorophenyl)-1-[5-[6-[5-[6-[(4-chlorophenyl)iminomethyl]-3-pyridinyl]-2-pyridinyl]-3-pyridinyl]-2-pyridinyl]methanimine

C34H22Cl2N6 — CID 90656962

IUPACN-(4-chlorophenyl)-1-[5-[6-[5-[6-[(4-chlorophenyl)iminomethyl]-3-pyridinyl]-2-pyridinyl]-3-pyridinyl]-2-pyridinyl]methanimine
SMILESClc1ccc(/N=C/c2ccc(-c3ccc(-c4ccc(-c5ccc(/C=N/c6ccc(Cl)cc6)nc5)cn4)nc3)cn2)cc1
InChIInChI=1S/C34H22Cl2N6/c35-27-5-11-29(12-6-27)39-21-31-9-1-23(17-37-31)25-3-15-33(41-19-25)34-16-4-26(20-42-34)24-2-10-32(38-18-24)22-40-30-13-7-28(36)8-14-30/h1-22H/b39-21+,40-22+
InChIKeyUIKJAXHKQOPKJH-NJHHXWHYSA-N
MW585.50 g/mol
LogP9.08
Rot. Bonds7

About N-(4-chlorophenyl)-1-[5-[6-[5-[6-[(4-chlorophenyl)iminomethyl]-3-pyridinyl]-2-pyridinyl]-3-pyridinyl]-2-pyridinyl]methanimine

N-(4-chlorophenyl)-1-[5-[6-[5-[6-[(4-chlorophenyl)iminomethyl]-3-pyridinyl]-2-pyridinyl]-3-pyridinyl]-2-pyridinyl]methanimine (PubChem CID 90656962) has the molecular formula C34H22Cl2N6 and a molecular weight of 585.50 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-[5-[6-[5-[6-[(4-chlorophenyl)iminomethyl]-3-pyridinyl]-2-pyridinyl]-3-pyridinyl]-2-pyridinyl]methanimine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-[5-[6-[5-[6-[(4-chlorophenyl)iminomethyl]-3-pyridinyl]-2-pyridinyl]-3-pyridinyl]-2-pyridinyl]methanimine
PubChem CID90656962
Molecular FormulaC34H22Cl2N6
Molecular Weight585.50 g/mol
Exact Mass584.13
IUPAC NameN-(4-chlorophenyl)-1-[5-[6-[5-[6-[(4-chlorophenyl)iminomethyl]-3-pyridinyl]-2-pyridinyl]-3-pyridinyl]-2-pyridinyl]methanimine
SMILESClc1ccc(/N=C/c2ccc(-c3ccc(-c4ccc(-c5ccc(/C=N/c6ccc(Cl)cc6)nc5)cn4)nc3)cn2)cc1
InChIInChI=1S/C34H22Cl2N6/c35-27-5-11-29(12-6-27)39-21-31-9-1-23(17-37-31)25-3-15-33(41-19-25)34-16-4-26(20-42-34)24-2-10-32(38-18-24)22-40-30-13-7-28(36)8-14-30/h1-22H/b39-21+,40-22+
InChIKeyUIKJAXHKQOPKJH-NJHHXWHYSA-N
XLogP9.08
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.50
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Piperaquine
CID 122262
4,4'-Diphenyl-2,2'-bipyridine
CID 80259
4'-(4-Pyridyl)-2,2':6',2''-terpyridine
CID 11438308
2,6-Bis(2-pyridyl)-4-phenylpyridine
CID 4407216
1-[[4-[4-[[4-(4-chloro-N-methylanilino)pyridin-1-ium-1-yl]methyl]phenyl]phenyl]methyl]-N,N-dimethylpyridin-1-ium-4-amine dibromide
CID 76314036
2,2':4',2''-Terpyridine, 6'-(2-pyridinyl)-
CID 9972674
795316-16-4 (Bromide)
CID 11366263
9-{3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-propyl}-2-(3-pyridin-3-yl-propyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 44268210
2-(2-Chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine
CID 66829616
2-(3-Chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine
CID 66829709
13-Chloro-2-[1-(pyridin-2-ylmethyl)piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 89474811
RSM-932A cation
CID 11239949

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-[5-[6-[5-[6-[(4-chlorophenyl)iminomethyl]-3-pyridinyl]-2-pyridinyl]-3-pyridinyl]-2-pyridinyl]methanimine?
The IUPAC name of N-(4-chlorophenyl)-1-[5-[6-[5-[6-[(4-chlorophenyl)iminomethyl]-3-pyridinyl]-2-pyridinyl]-3-pyridinyl]-2-pyridinyl]methanimine (CID 90656962) is N-(4-chlorophenyl)-1-[5-[6-[5-[6-[(4-chlorophenyl)iminomethyl]-3-pyridinyl]-2-pyridinyl]-3-pyridinyl]-2-pyridinyl]methanimine.
What is the SMILES notation for N-(4-chlorophenyl)-1-[5-[6-[5-[6-[(4-chlorophenyl)iminomethyl]-3-pyridinyl]-2-pyridinyl]-3-pyridinyl]-2-pyridinyl]methanimine?
The canonical SMILES for N-(4-chlorophenyl)-1-[5-[6-[5-[6-[(4-chlorophenyl)iminomethyl]-3-pyridinyl]-2-pyridinyl]-3-pyridinyl]-2-pyridinyl]methanimine is Clc1ccc(/N=C/c2ccc(-c3ccc(-c4ccc(-c5ccc(/C=N/c6ccc(Cl)cc6)nc5)cn4)nc3)cn2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-[5-[6-[5-[6-[(4-chlorophenyl)iminomethyl]-3-pyridinyl]-2-pyridinyl]-3-pyridinyl]-2-pyridinyl]methanimine?
The InChIKey is UIKJAXHKQOPKJH-NJHHXWHYSA-N. The full InChI is InChI=1S/C34H22Cl2N6/c35-27-5-11-29(12-6-27)39-21-31-9-1-23(17-37-31)25-3-15-33(41-19-25)34-16-4-26(20-42-34)24-2-10-32(38-18-24)22-40-30-13-7-28(36)8-14-30/h1-22H/b39-21+,40-22+.
What are the key properties of N-(4-chlorophenyl)-1-[5-[6-[5-[6-[(4-chlorophenyl)iminomethyl]-3-pyridinyl]-2-pyridinyl]-3-pyridinyl]-2-pyridinyl]methanimine?
N-(4-chlorophenyl)-1-[5-[6-[5-[6-[(4-chlorophenyl)iminomethyl]-3-pyridinyl]-2-pyridinyl]-3-pyridinyl]-2-pyridinyl]methanimine has a molecular weight of 585.50 g/mol, XLogP of 9.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-[5-[6-[5-[6-[(4-chlorophenyl)iminomethyl]-3-pyridinyl]-2-pyridinyl]-3-pyridinyl]-2-pyridinyl]methanimine is sourced from PubChem (CID 90656962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).