2-(2,4-dichlorophenyl)-1,3-diphenyl-1,3-diazinane

C22H20Cl2N2 — CID 3089207

IUPAC2-(2,4-dichlorophenyl)-1,3-diphenyl-1,3-diazinane
SMILESClc1ccc(C2N(c3ccccc3)CCCN2c2ccccc2)c(Cl)c1
InChIInChI=1S/C22H20Cl2N2/c23-17-12-13-20(21(24)16-17)22-25(18-8-3-1-4-9-18)14-7-15-26(22)19-10-5-2-6-11-19/h1-6,8-13,16,22H,7,14-15H2
InChIKeyASYDSRYJOHXHSS-UHFFFAOYSA-N
MW383.32 g/mol
LogP6.41
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-1,3-diphenyl-1,3-diazinane

2-(2,4-dichlorophenyl)-1,3-diphenyl-1,3-diazinane (PubChem CID 3089207) has the molecular formula C22H20Cl2N2 and a molecular weight of 383.32 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1,3-diphenyl-1,3-diazinane.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1,3-diphenyl-1,3-diazinane
PubChem CID3089207
Molecular FormulaC22H20Cl2N2
Molecular Weight383.32 g/mol
Exact Mass382.10
IUPAC Name2-(2,4-dichlorophenyl)-1,3-diphenyl-1,3-diazinane
SMILESClc1ccc(C2N(c3ccccc3)CCCN2c2ccccc2)c(Cl)c1
InChIInChI=1S/C22H20Cl2N2/c23-17-12-13-20(21(24)16-17)22-25(18-8-3-1-4-9-18)14-7-15-26(22)19-10-5-2-6-11-19/h1-6,8-13,16,22H,7,14-15H2
InChIKeyASYDSRYJOHXHSS-UHFFFAOYSA-N
XLogP6.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.32
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1,3-diphenyl-1,3-diazinane?
The IUPAC name of 2-(2,4-dichlorophenyl)-1,3-diphenyl-1,3-diazinane (CID 3089207) is 2-(2,4-dichlorophenyl)-1,3-diphenyl-1,3-diazinane.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1,3-diphenyl-1,3-diazinane?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1,3-diphenyl-1,3-diazinane is Clc1ccc(C2N(c3ccccc3)CCCN2c2ccccc2)c(Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1,3-diphenyl-1,3-diazinane?
The InChIKey is ASYDSRYJOHXHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2/c23-17-12-13-20(21(24)16-17)22-25(18-8-3-1-4-9-18)14-7-15-26(22)19-10-5-2-6-11-19/h1-6,8-13,16,22H,7,14-15H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1,3-diphenyl-1,3-diazinane?
2-(2,4-dichlorophenyl)-1,3-diphenyl-1,3-diazinane has a molecular weight of 383.32 g/mol, XLogP of 6.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1,3-diphenyl-1,3-diazinane is sourced from PubChem (CID 3089207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).