1-chloro-2-[chloro(diphenyl)methyl]benzene;1,4,7-triazonane

C25H29Cl2N3 — CID 131738414

IUPAC1-chloro-2-[chloro(diphenyl)methyl]benzene;1,4,7-triazonane
SMILESC1CNCCNCCN1.Clc1ccccc1C(Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H14Cl2.C6H15N3/c20-18-14-8-7-13-17(18)19(21,15-9-3-1-4-10-15)16-11-5-2-6-12-16;1-2-8-5-6-9-4-3-7-1/h1-14H;7-9H,1-6H2
InChIKeyCZBDGXFRYQMFDV-UHFFFAOYSA-N
MW442.43 g/mol
LogP4.64
Rot. Bonds3

About 1-chloro-2-[chloro(diphenyl)methyl]benzene;1,4,7-triazonane

1-chloro-2-[chloro(diphenyl)methyl]benzene;1,4,7-triazonane (PubChem CID 131738414) has the molecular formula C25H29Cl2N3 and a molecular weight of 442.43 g/mol. Its IUPAC name is 1-chloro-2-[chloro(diphenyl)methyl]benzene;1,4,7-triazonane.

Molecular Properties

Compound Name1-chloro-2-[chloro(diphenyl)methyl]benzene;1,4,7-triazonane
PubChem CID131738414
Molecular FormulaC25H29Cl2N3
Molecular Weight442.43 g/mol
Exact Mass441.17
IUPAC Name1-chloro-2-[chloro(diphenyl)methyl]benzene;1,4,7-triazonane
SMILESC1CNCCNCCN1.Clc1ccccc1C(Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H14Cl2.C6H15N3/c20-18-14-8-7-13-17(18)19(21,15-9-3-1-4-10-15)16-11-5-2-6-12-16;1-2-8-5-6-9-4-3-7-1/h1-14H;7-9H,1-6H2
InChIKeyCZBDGXFRYQMFDV-UHFFFAOYSA-N
XLogP4.64
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.43
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis[2-(2-chlorophenyl)ethyl]cyclohexane-1,4-diamine
CID 78678
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2,2-diphenylethyl)ethane-1,2-diamine
CID 16076254
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(3,3-diphenylpropyl)ethane-1,2-diamine
CID 16076286
N'-[2-(2-chlorophenyl)ethyl]-N-(4-phenylbutyl)ethane-1,2-diamine
CID 16076529
N'-benzhydryl-N-[2-(2-chlorophenyl)ethyl]ethane-1,2-diamine
CID 16076807
3-(2-Chlorophenyl)-4-phenylpiperidine;hydrochloride
CID 18001182
1-[(Z)-3-[4-(2-chlorophenyl)phenyl]but-2-enyl]piperazine
CID 20302128
Bis(3-chloro-4-methylphenyl)-(2-piperazin-1-ylethyl)borane
CID 23021406
N'-[2-(2-chlorophenyl)ethyl]-N-[2-(3-methylphenyl)ethyl]ethane-1,2-diamine
CID 23394673
1-[3-[4-(2-Chlorophenyl)phenyl]but-2-enyl]piperazine
CID 53879737
4-[(2-Chlorophenyl)-phenylmethyl]piperidine
CID 54233585
4-[Bis(2-chlorophenyl)methylidene]piperidine
CID 54403553

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[chloro(diphenyl)methyl]benzene;1,4,7-triazonane?
The IUPAC name of 1-chloro-2-[chloro(diphenyl)methyl]benzene;1,4,7-triazonane (CID 131738414) is 1-chloro-2-[chloro(diphenyl)methyl]benzene;1,4,7-triazonane.
What is the SMILES notation for 1-chloro-2-[chloro(diphenyl)methyl]benzene;1,4,7-triazonane?
The canonical SMILES for 1-chloro-2-[chloro(diphenyl)methyl]benzene;1,4,7-triazonane is C1CNCCNCCN1.Clc1ccccc1C(Cl)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-chloro-2-[chloro(diphenyl)methyl]benzene;1,4,7-triazonane?
The InChIKey is CZBDGXFRYQMFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2.C6H15N3/c20-18-14-8-7-13-17(18)19(21,15-9-3-1-4-10-15)16-11-5-2-6-12-16;1-2-8-5-6-9-4-3-7-1/h1-14H;7-9H,1-6H2.
What are the key properties of 1-chloro-2-[chloro(diphenyl)methyl]benzene;1,4,7-triazonane?
1-chloro-2-[chloro(diphenyl)methyl]benzene;1,4,7-triazonane has a molecular weight of 442.43 g/mol, XLogP of 4.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[chloro(diphenyl)methyl]benzene;1,4,7-triazonane is sourced from PubChem (CID 131738414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).