4,5,5-triphenyl-2-[1-phenyl-2-(4,5,5-triphenyl-4H-1,3-oxazol-2-yl)propan-2-yl]-4H-1,3-oxazole

C51H42N2O2 — CID 155885296

IUPAC4,5,5-triphenyl-2-[1-phenyl-2-(4,5,5-triphenyl-4H-1,3-oxazol-2-yl)propan-2-yl]-4H-1,3-oxazole
SMILESCC(Cc1ccccc1)(C1=NC(c2ccccc2)C(c2ccccc2)(c2ccccc2)O1)C1=NC(c2ccccc2)C(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C51H42N2O2/c1-49(37-38-23-9-2-10-24-38,47-52-45(39-25-11-3-12-26-39)50(54-47,41-29-15-5-16-30-41)42-31-17-6-18-32-42)48-53-46(40-27-13-4-14-28-40)51(55-48,43-33-19-7-20-34-43)44-35-21-8-22-36-44/h2-36,45-46H,37H2,1H3
InChIKeyDKXZWEBAHFFNLW-UHFFFAOYSA-N
MW714.91 g/mol
LogP11.46
Rot. Bonds10

About 4,5,5-triphenyl-2-[1-phenyl-2-(4,5,5-triphenyl-4H-1,3-oxazol-2-yl)propan-2-yl]-4H-1,3-oxazole

4,5,5-triphenyl-2-[1-phenyl-2-(4,5,5-triphenyl-4H-1,3-oxazol-2-yl)propan-2-yl]-4H-1,3-oxazole (PubChem CID 155885296) has the molecular formula C51H42N2O2 and a molecular weight of 714.91 g/mol. Its IUPAC name is 4,5,5-triphenyl-2-[1-phenyl-2-(4,5,5-triphenyl-4H-1,3-oxazol-2-yl)propan-2-yl]-4H-1,3-oxazole.

Molecular Properties

Compound Name4,5,5-triphenyl-2-[1-phenyl-2-(4,5,5-triphenyl-4H-1,3-oxazol-2-yl)propan-2-yl]-4H-1,3-oxazole
PubChem CID155885296
Molecular FormulaC51H42N2O2
Molecular Weight714.91 g/mol
Exact Mass714.32
IUPAC Name4,5,5-triphenyl-2-[1-phenyl-2-(4,5,5-triphenyl-4H-1,3-oxazol-2-yl)propan-2-yl]-4H-1,3-oxazole
SMILESCC(Cc1ccccc1)(C1=NC(c2ccccc2)C(c2ccccc2)(c2ccccc2)O1)C1=NC(c2ccccc2)C(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C51H42N2O2/c1-49(37-38-23-9-2-10-24-38,47-52-45(39-25-11-3-12-26-39)50(54-47,41-29-15-5-16-30-41)42-31-17-6-18-32-42)48-53-46(40-27-13-4-14-28-40)51(55-48,43-33-19-7-20-34-43)44-35-21-8-22-36-44/h2-36,45-46H,37H2,1H3
InChIKeyDKXZWEBAHFFNLW-UHFFFAOYSA-N
XLogP11.46
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.91
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5,5-triphenyl-2-[1-phenyl-2-(4,5,5-triphenyl-4H-1,3-oxazol-2-yl)propan-2-yl]-4H-1,3-oxazole?
The IUPAC name of 4,5,5-triphenyl-2-[1-phenyl-2-(4,5,5-triphenyl-4H-1,3-oxazol-2-yl)propan-2-yl]-4H-1,3-oxazole (CID 155885296) is 4,5,5-triphenyl-2-[1-phenyl-2-(4,5,5-triphenyl-4H-1,3-oxazol-2-yl)propan-2-yl]-4H-1,3-oxazole.
What is the SMILES notation for 4,5,5-triphenyl-2-[1-phenyl-2-(4,5,5-triphenyl-4H-1,3-oxazol-2-yl)propan-2-yl]-4H-1,3-oxazole?
The canonical SMILES for 4,5,5-triphenyl-2-[1-phenyl-2-(4,5,5-triphenyl-4H-1,3-oxazol-2-yl)propan-2-yl]-4H-1,3-oxazole is CC(Cc1ccccc1)(C1=NC(c2ccccc2)C(c2ccccc2)(c2ccccc2)O1)C1=NC(c2ccccc2)C(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of 4,5,5-triphenyl-2-[1-phenyl-2-(4,5,5-triphenyl-4H-1,3-oxazol-2-yl)propan-2-yl]-4H-1,3-oxazole?
The InChIKey is DKXZWEBAHFFNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H42N2O2/c1-49(37-38-23-9-2-10-24-38,47-52-45(39-25-11-3-12-26-39)50(54-47,41-29-15-5-16-30-41)42-31-17-6-18-32-42)48-53-46(40-27-13-4-14-28-40)51(55-48,43-33-19-7-20-34-43)44-35-21-8-22-36-44/h2-36,45-46H,37H2,1H3.
What are the key properties of 4,5,5-triphenyl-2-[1-phenyl-2-(4,5,5-triphenyl-4H-1,3-oxazol-2-yl)propan-2-yl]-4H-1,3-oxazole?
4,5,5-triphenyl-2-[1-phenyl-2-(4,5,5-triphenyl-4H-1,3-oxazol-2-yl)propan-2-yl]-4H-1,3-oxazole has a molecular weight of 714.91 g/mol, XLogP of 11.46, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5-triphenyl-2-[1-phenyl-2-(4,5,5-triphenyl-4H-1,3-oxazol-2-yl)propan-2-yl]-4H-1,3-oxazole is sourced from PubChem (CID 155885296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).