1,2-bis(4-methylphenyl)-3,4-diphenyl-1,3-diazetidine

C28H26N2 — CID 101351201

IUPAC1,2-bis(4-methylphenyl)-3,4-diphenyl-1,3-diazetidine
SMILESCc1ccc(C2N(c3ccccc3)C(c3ccccc3)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C28H26N2/c1-21-13-17-24(18-14-21)28-29(25-11-7-4-8-12-25)27(23-9-5-3-6-10-23)30(28)26-19-15-22(2)16-20-26/h3-20,27-28H,1-2H3
InChIKeyGEPMLQKHZARLSV-UHFFFAOYSA-N
MW390.53 g/mol
LogP7.03
Rot. Bonds4

About 1,2-bis(4-methylphenyl)-3,4-diphenyl-1,3-diazetidine

1,2-bis(4-methylphenyl)-3,4-diphenyl-1,3-diazetidine (PubChem CID 101351201) has the molecular formula C28H26N2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 1,2-bis(4-methylphenyl)-3,4-diphenyl-1,3-diazetidine.

Molecular Properties

Compound Name1,2-bis(4-methylphenyl)-3,4-diphenyl-1,3-diazetidine
PubChem CID101351201
Molecular FormulaC28H26N2
Molecular Weight390.53 g/mol
Exact Mass390.21
IUPAC Name1,2-bis(4-methylphenyl)-3,4-diphenyl-1,3-diazetidine
SMILESCc1ccc(C2N(c3ccccc3)C(c3ccccc3)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C28H26N2/c1-21-13-17-24(18-14-21)28-29(25-11-7-4-8-12-25)27(23-9-5-3-6-10-23)30(28)26-19-15-22(2)16-20-26/h3-20,27-28H,1-2H3
InChIKeyGEPMLQKHZARLSV-UHFFFAOYSA-N
XLogP7.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-3-phenyloxirane
CID 602487
2-[4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]phenyl]-1,3-bis(4-methylphenyl)imidazolidine
CID 21231913
4-methyl-5-(4-methylphenyl)-2,3-diphenyl-2,4-dihydroimidazole
CID 157432449
(2S,5R)-1-(4-methylphenyl)-2,5-diphenylpyrrolidin-3-one
CID 101124325
(5S)-3-(4-tert-butylphenyl)-4-(4-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazolidine
CID 59119005
benzene;bis(1,4-xylene)
CID 159472747
4-(4-methylphenyl)-1-phenylazetidine-2,3-dione
CID 14084640
(3S,4S)-3-methyl-1-(4-methylphenyl)-4-phenylazetidin-2-one
CID 154718550
2-tert-butyl-4-(4-methylphenyl)-3-phenyl-5-propan-2-ylidene-1,2,4-oxadiazolidine
CID 134873544
3-(4-chlorophenyl)-4-methyl-5-(4-methylphenyl)-2-phenyl-2,4-dihydroimidazole
CID 157432450
2-(4-methylphenyl)-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one
CID 3825974
2-(4-methylphenyl)-5-phenyl-1,3-dioxane
CID 144692145

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-methylphenyl)-3,4-diphenyl-1,3-diazetidine?
The IUPAC name of 1,2-bis(4-methylphenyl)-3,4-diphenyl-1,3-diazetidine (CID 101351201) is 1,2-bis(4-methylphenyl)-3,4-diphenyl-1,3-diazetidine.
What is the SMILES notation for 1,2-bis(4-methylphenyl)-3,4-diphenyl-1,3-diazetidine?
The canonical SMILES for 1,2-bis(4-methylphenyl)-3,4-diphenyl-1,3-diazetidine is Cc1ccc(C2N(c3ccccc3)C(c3ccccc3)N2c2ccc(C)cc2)cc1.
What is the InChIKey of 1,2-bis(4-methylphenyl)-3,4-diphenyl-1,3-diazetidine?
The InChIKey is GEPMLQKHZARLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2/c1-21-13-17-24(18-14-21)28-29(25-11-7-4-8-12-25)27(23-9-5-3-6-10-23)30(28)26-19-15-22(2)16-20-26/h3-20,27-28H,1-2H3.
What are the key properties of 1,2-bis(4-methylphenyl)-3,4-diphenyl-1,3-diazetidine?
1,2-bis(4-methylphenyl)-3,4-diphenyl-1,3-diazetidine has a molecular weight of 390.53 g/mol, XLogP of 7.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-methylphenyl)-3,4-diphenyl-1,3-diazetidine is sourced from PubChem (CID 101351201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).