6-(1,2-diphenylethenyl)-2,3-diphenylaniline

C32H25N — CID 174844205

IUPAC6-(1,2-diphenylethenyl)-2,3-diphenylaniline
SMILESNc1c(C(=Cc2ccccc2)c2ccccc2)ccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C32H25N/c33-32-29(30(26-17-9-3-10-18-26)23-24-13-5-1-6-14-24)22-21-28(25-15-7-2-8-16-25)31(32)27-19-11-4-12-20-27/h1-23H,33H2
InChIKeyMHWZSWWLMYRJML-UHFFFAOYSA-N
MW423.56 g/mol
LogP8.19
Rot. Bonds5

About 6-(1,2-diphenylethenyl)-2,3-diphenylaniline

6-(1,2-diphenylethenyl)-2,3-diphenylaniline (PubChem CID 174844205) has the molecular formula C32H25N and a molecular weight of 423.56 g/mol. Its IUPAC name is 6-(1,2-diphenylethenyl)-2,3-diphenylaniline.

Molecular Properties

Compound Name6-(1,2-diphenylethenyl)-2,3-diphenylaniline
PubChem CID174844205
Molecular FormulaC32H25N
Molecular Weight423.56 g/mol
Exact Mass423.20
IUPAC Name6-(1,2-diphenylethenyl)-2,3-diphenylaniline
SMILESNc1c(C(=Cc2ccccc2)c2ccccc2)ccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C32H25N/c33-32-29(30(26-17-9-3-10-18-26)23-24-13-5-1-6-14-24)22-21-28(25-15-7-2-8-16-25)31(32)27-19-11-4-12-20-27/h1-23H,33H2
InChIKeyMHWZSWWLMYRJML-UHFFFAOYSA-N
XLogP8.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 58.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-[(Z)-1,2-diphenylethenyl]-1-phenylbenzene
CID 66868039
1-(1,2-diphenylethenyl)-4-phenylbenzene
CID 54005685
CID 173126547
CID 173126547
1-[(Z)-1,2-diphenylethenyl]-4-[4-[(Z)-1,2-diphenylethenyl]phenyl]benzene
CID 173002469
1-chloro-2-[(E)-1,2-diphenylethenyl]benzene
CID 175564265
9-[4-(2,2-diphenylethenyl)phenyl]-10-(2,4-diphenylphenyl)anthracene
CID 59459841
1-[(E)-1,2-diphenylethenyl]-3-phenylbenzene
CID 121493700
9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene
CID 3380793
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene
CID 20678091
CID 172843956
CID 172843956
1-chloro-4-(1,2-diphenylethenyl)benzene
CID 58695106
1-(2,2-diphenylethenyl)-4-[2-[4-[4-[2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]phenyl]phenyl]ethenyl]benzene
CID 59965271

Frequently Asked Questions

What is the IUPAC name of 6-(1,2-diphenylethenyl)-2,3-diphenylaniline?
The IUPAC name of 6-(1,2-diphenylethenyl)-2,3-diphenylaniline (CID 174844205) is 6-(1,2-diphenylethenyl)-2,3-diphenylaniline.
What is the SMILES notation for 6-(1,2-diphenylethenyl)-2,3-diphenylaniline?
The canonical SMILES for 6-(1,2-diphenylethenyl)-2,3-diphenylaniline is Nc1c(C(=Cc2ccccc2)c2ccccc2)ccc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 6-(1,2-diphenylethenyl)-2,3-diphenylaniline?
The InChIKey is MHWZSWWLMYRJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N/c33-32-29(30(26-17-9-3-10-18-26)23-24-13-5-1-6-14-24)22-21-28(25-15-7-2-8-16-25)31(32)27-19-11-4-12-20-27/h1-23H,33H2.
What are the key properties of 6-(1,2-diphenylethenyl)-2,3-diphenylaniline?
6-(1,2-diphenylethenyl)-2,3-diphenylaniline has a molecular weight of 423.56 g/mol, XLogP of 8.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2-diphenylethenyl)-2,3-diphenylaniline is sourced from PubChem (CID 174844205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).