2,6-diphenyl-N-[1-phenyl-2-[4-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethenyl]aniline

C38H34N2O — CID 139985870

IUPAC2,6-diphenyl-N-[1-phenyl-2-[4-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethenyl]aniline
SMILESCc1cc(C)c(C2COC(C=C(Nc3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc3)=N2)c(C)c1
InChIInChI=1S/C38H34N2O/c1-26-22-27(2)37(28(3)23-26)35-25-41-36(39-35)24-34(31-18-11-6-12-19-31)40-38-32(29-14-7-4-8-15-29)20-13-21-33(38)30-16-9-5-10-17-30/h4-24,35,40H,25H2,1-3H3
InChIKeyZGGPYBGMXDPCIR-UHFFFAOYSA-N
MW534.70 g/mol
LogP9.57
Rot. Bonds7

About 2,6-diphenyl-N-[1-phenyl-2-[4-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethenyl]aniline

2,6-diphenyl-N-[1-phenyl-2-[4-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethenyl]aniline (PubChem CID 139985870) has the molecular formula C38H34N2O and a molecular weight of 534.70 g/mol. Its IUPAC name is 2,6-diphenyl-N-[1-phenyl-2-[4-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethenyl]aniline.

Molecular Properties

Compound Name2,6-diphenyl-N-[1-phenyl-2-[4-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethenyl]aniline
PubChem CID139985870
Molecular FormulaC38H34N2O
Molecular Weight534.70 g/mol
Exact Mass534.27
IUPAC Name2,6-diphenyl-N-[1-phenyl-2-[4-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethenyl]aniline
SMILESCc1cc(C)c(C2COC(C=C(Nc3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc3)=N2)c(C)c1
InChIInChI=1S/C38H34N2O/c1-26-22-27(2)37(28(3)23-26)35-25-41-36(39-35)24-34(31-18-11-6-12-19-31)40-38-32(29-14-7-4-8-15-29)20-13-21-33(38)30-16-9-5-10-17-30/h4-24,35,40H,25H2,1-3H3
InChIKeyZGGPYBGMXDPCIR-UHFFFAOYSA-N
XLogP9.57
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.70
LogP ≤ 59.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-N-[1-phenyl-2-[4-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethenyl]aniline?
The IUPAC name of 2,6-diphenyl-N-[1-phenyl-2-[4-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethenyl]aniline (CID 139985870) is 2,6-diphenyl-N-[1-phenyl-2-[4-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethenyl]aniline.
What is the SMILES notation for 2,6-diphenyl-N-[1-phenyl-2-[4-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethenyl]aniline?
The canonical SMILES for 2,6-diphenyl-N-[1-phenyl-2-[4-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethenyl]aniline is Cc1cc(C)c(C2COC(C=C(Nc3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc3)=N2)c(C)c1.
What is the InChIKey of 2,6-diphenyl-N-[1-phenyl-2-[4-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethenyl]aniline?
The InChIKey is ZGGPYBGMXDPCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N2O/c1-26-22-27(2)37(28(3)23-26)35-25-41-36(39-35)24-34(31-18-11-6-12-19-31)40-38-32(29-14-7-4-8-15-29)20-13-21-33(38)30-16-9-5-10-17-30/h4-24,35,40H,25H2,1-3H3.
What are the key properties of 2,6-diphenyl-N-[1-phenyl-2-[4-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethenyl]aniline?
2,6-diphenyl-N-[1-phenyl-2-[4-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethenyl]aniline has a molecular weight of 534.70 g/mol, XLogP of 9.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-N-[1-phenyl-2-[4-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethenyl]aniline is sourced from PubChem (CID 139985870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).