1-(4-phenylphenyl)aziridine

C14H13N — CID 152682568

IUPAC1-(4-phenylphenyl)aziridine
SMILESc1ccc(-c2ccc(N3CC3)cc2)cc1
InChIInChI=1S/C14H13N/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)15-10-11-15/h1-9H,10-11H2
InChIKeyZNWBIIRSLFZJSY-UHFFFAOYSA-N
MW195.26 g/mol
LogP3.17
Rot. Bonds2

About 1-(4-phenylphenyl)aziridine

1-(4-phenylphenyl)aziridine (PubChem CID 152682568) has the molecular formula C14H13N and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-(4-phenylphenyl)aziridine.

Molecular Properties

Compound Name1-(4-phenylphenyl)aziridine
PubChem CID152682568
Molecular FormulaC14H13N
Molecular Weight195.26 g/mol
Exact Mass195.10
IUPAC Name1-(4-phenylphenyl)aziridine
SMILESc1ccc(-c2ccc(N3CC3)cc2)cc1
InChIInChI=1S/C14H13N/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)15-10-11-15/h1-9H,10-11H2
InChIKeyZNWBIIRSLFZJSY-UHFFFAOYSA-N
XLogP3.17
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-[4-(4-phenylphenyl)piperazin-1-yl]cyclobut-3-ene-1,2-dione
CID 134069337
1-(2-methoxyethyl)-4-(4-phenylphenyl)piperazine
CID 175772124
4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051557
(3S,4S)-4-[4-(4-phenylphenyl)piperazin-1-yl]pyrrolidin-3-ol
CID 87937359
[4-(4-hydroxyphenyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 8779428
1,1'-biphenyl;ethane;4-phenylmorpholine;toluene
CID 158356993
1-fluoro-4-phenylpiperazine
CID 23450926
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
(3R)-3-methyl-1-(4-phenylphenyl)piperazine
CID 58223220
1-phenyl-4-[2-(4-phenylphenoxy)ethyl]piperazine
CID 94036722
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
[4-(aziridin-1-yl)phenyl]-phenylmethanone
CID 102156745

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)aziridine?
The IUPAC name of 1-(4-phenylphenyl)aziridine (CID 152682568) is 1-(4-phenylphenyl)aziridine.
What is the SMILES notation for 1-(4-phenylphenyl)aziridine?
The canonical SMILES for 1-(4-phenylphenyl)aziridine is c1ccc(-c2ccc(N3CC3)cc2)cc1.
What is the InChIKey of 1-(4-phenylphenyl)aziridine?
The InChIKey is ZNWBIIRSLFZJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)15-10-11-15/h1-9H,10-11H2.
What are the key properties of 1-(4-phenylphenyl)aziridine?
1-(4-phenylphenyl)aziridine has a molecular weight of 195.26 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)aziridine is sourced from PubChem (CID 152682568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).