4-[(Z)-2-phenylethenyl]-2-[(E)-2-phenylethenyl]benzene-1,3,5-triamine

C22H21N3 — CID 51521223

IUPAC4-[(Z)-2-phenylethenyl]-2-[(E)-2-phenylethenyl]benzene-1,3,5-triamine
SMILESNc1cc(N)c(/C=C/c2ccccc2)c(N)c1/C=C\c1ccccc1
InChIInChI=1S/C22H21N3/c23-20-15-21(24)19(14-12-17-9-5-2-6-10-17)22(25)18(20)13-11-16-7-3-1-4-8-16/h1-15H,23-25H2/b13-11-,14-12+
InChIKeyNYTACRUTGWIIQX-HEEUSZRZSA-N
MW327.43 g/mol
LogP4.77
Rot. Bonds4

About 4-[(Z)-2-phenylethenyl]-2-[(E)-2-phenylethenyl]benzene-1,3,5-triamine

4-[(Z)-2-phenylethenyl]-2-[(E)-2-phenylethenyl]benzene-1,3,5-triamine (PubChem CID 51521223) has the molecular formula C22H21N3 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-[(Z)-2-phenylethenyl]-2-[(E)-2-phenylethenyl]benzene-1,3,5-triamine.

Molecular Properties

Compound Name4-[(Z)-2-phenylethenyl]-2-[(E)-2-phenylethenyl]benzene-1,3,5-triamine
PubChem CID51521223
Molecular FormulaC22H21N3
Molecular Weight327.43 g/mol
Exact Mass327.17
IUPAC Name4-[(Z)-2-phenylethenyl]-2-[(E)-2-phenylethenyl]benzene-1,3,5-triamine
SMILESNc1cc(N)c(/C=C/c2ccccc2)c(N)c1/C=C\c1ccccc1
InChIInChI=1S/C22H21N3/c23-20-15-21(24)19(14-12-17-9-5-2-6-10-17)22(25)18(20)13-11-16-7-3-1-4-8-16/h1-15H,23-25H2/b13-11-,14-12+
InChIKeyNYTACRUTGWIIQX-HEEUSZRZSA-N
XLogP4.77
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis[(E)-2-phenylethenyl]aniline
CID 22251468
CID 70567885
CID 70567885
CID 70569152
CID 70569152
5-(2-chlorophenyl)-4-(2-phenylethenyl)benzene-1,3-diamine
CID 150064195
4-(2-phenylethenyl)aniline
CID 13265
1-(2-phenylethenyl)naphthalen-2-amine
CID 68840486
hydride;rubidium(1+);stilbene
CID 173437843
disodium;hydride;(E)-stilbene
CID 173089328
4-(4-aminophenyl)-2,3-bis(2-phenylethenyl)aniline
CID 66757843
2-[(E)-2-phenylethenyl]azulene
CID 12674002
stilbene;sulfuric acid
CID 67612140
2-[3,5-diamino-2-(2-phenylethenyl)anilino]propan-1-ol
CID 174427494

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-phenylethenyl]-2-[(E)-2-phenylethenyl]benzene-1,3,5-triamine?
The IUPAC name of 4-[(Z)-2-phenylethenyl]-2-[(E)-2-phenylethenyl]benzene-1,3,5-triamine (CID 51521223) is 4-[(Z)-2-phenylethenyl]-2-[(E)-2-phenylethenyl]benzene-1,3,5-triamine.
What is the SMILES notation for 4-[(Z)-2-phenylethenyl]-2-[(E)-2-phenylethenyl]benzene-1,3,5-triamine?
The canonical SMILES for 4-[(Z)-2-phenylethenyl]-2-[(E)-2-phenylethenyl]benzene-1,3,5-triamine is Nc1cc(N)c(/C=C/c2ccccc2)c(N)c1/C=C\c1ccccc1.
What is the InChIKey of 4-[(Z)-2-phenylethenyl]-2-[(E)-2-phenylethenyl]benzene-1,3,5-triamine?
The InChIKey is NYTACRUTGWIIQX-HEEUSZRZSA-N. The full InChI is InChI=1S/C22H21N3/c23-20-15-21(24)19(14-12-17-9-5-2-6-10-17)22(25)18(20)13-11-16-7-3-1-4-8-16/h1-15H,23-25H2/b13-11-,14-12+.
What are the key properties of 4-[(Z)-2-phenylethenyl]-2-[(E)-2-phenylethenyl]benzene-1,3,5-triamine?
4-[(Z)-2-phenylethenyl]-2-[(E)-2-phenylethenyl]benzene-1,3,5-triamine has a molecular weight of 327.43 g/mol, XLogP of 4.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-phenylethenyl]-2-[(E)-2-phenylethenyl]benzene-1,3,5-triamine is sourced from PubChem (CID 51521223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).