2,5-diphenyl-3-[4-(2-phenylethenyl)phenyl]tetrazolidine

C27H24N4 — CID 71436327

IUPAC2,5-diphenyl-3-[4-(2-phenylethenyl)phenyl]tetrazolidine
SMILESC(=Cc1ccc(N2NC(c3ccccc3)NN2c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C27H24N4/c1-4-10-22(11-5-1)16-17-23-18-20-26(21-19-23)31-29-27(24-12-6-2-7-13-24)28-30(31)25-14-8-3-9-15-25/h1-21,27-29H
InChIKeyIYJQPJHDHSFGCE-UHFFFAOYSA-N
MW404.52 g/mol
LogP5.81
Rot. Bonds5

About 2,5-diphenyl-3-[4-(2-phenylethenyl)phenyl]tetrazolidine

2,5-diphenyl-3-[4-(2-phenylethenyl)phenyl]tetrazolidine (PubChem CID 71436327) has the molecular formula C27H24N4 and a molecular weight of 404.52 g/mol. Its IUPAC name is 2,5-diphenyl-3-[4-(2-phenylethenyl)phenyl]tetrazolidine.

Molecular Properties

Compound Name2,5-diphenyl-3-[4-(2-phenylethenyl)phenyl]tetrazolidine
PubChem CID71436327
Molecular FormulaC27H24N4
Molecular Weight404.52 g/mol
Exact Mass404.20
IUPAC Name2,5-diphenyl-3-[4-(2-phenylethenyl)phenyl]tetrazolidine
SMILESC(=Cc1ccc(N2NC(c3ccccc3)NN2c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C27H24N4/c1-4-10-22(11-5-1)16-17-23-18-20-26(21-19-23)31-29-27(24-12-6-2-7-13-24)28-30(31)25-14-8-3-9-15-25/h1-21,27-29H
InChIKeyIYJQPJHDHSFGCE-UHFFFAOYSA-N
XLogP5.81
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.52
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5R)-3,5-diphenyltetrazolidin-2-yl]-4,5-dimethyl-1,3-thiazole
CID 95401019
CID 70567885
CID 70567885
CID 70569152
CID 70569152
hydride;rubidium(1+);stilbene
CID 173437843
disodium;hydride;(E)-stilbene
CID 173089328
2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-dioxolane
CID 170873890
4-(2-phenylethenyl)aniline
CID 13265
4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
CID 52942315
4-(2-phenylethenyl)phenol
CID 157400568
2-benzyl-4-phenyltriazetidine
CID 121323485
(3S)-2-(3-fluorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole
CID 7188125
N,N-dimethylmethanamine;stilbene
CID 174368184

Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-3-[4-(2-phenylethenyl)phenyl]tetrazolidine?
The IUPAC name of 2,5-diphenyl-3-[4-(2-phenylethenyl)phenyl]tetrazolidine (CID 71436327) is 2,5-diphenyl-3-[4-(2-phenylethenyl)phenyl]tetrazolidine.
What is the SMILES notation for 2,5-diphenyl-3-[4-(2-phenylethenyl)phenyl]tetrazolidine?
The canonical SMILES for 2,5-diphenyl-3-[4-(2-phenylethenyl)phenyl]tetrazolidine is C(=Cc1ccc(N2NC(c3ccccc3)NN2c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 2,5-diphenyl-3-[4-(2-phenylethenyl)phenyl]tetrazolidine?
The InChIKey is IYJQPJHDHSFGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4/c1-4-10-22(11-5-1)16-17-23-18-20-26(21-19-23)31-29-27(24-12-6-2-7-13-24)28-30(31)25-14-8-3-9-15-25/h1-21,27-29H.
What are the key properties of 2,5-diphenyl-3-[4-(2-phenylethenyl)phenyl]tetrazolidine?
2,5-diphenyl-3-[4-(2-phenylethenyl)phenyl]tetrazolidine has a molecular weight of 404.52 g/mol, XLogP of 5.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-3-[4-(2-phenylethenyl)phenyl]tetrazolidine is sourced from PubChem (CID 71436327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).