4-(1,5-diphenylpyrrol-2-yl)-5-[4-[4-(1,5-diphenylpyrrol-2-yl)-2-phenyl-1,3-oxazol-5-yl]phenyl]-2-phenyl-1,3-oxazole

C56H38N4O2 — CID 164667881

IUPAC4-(1,5-diphenylpyrrol-2-yl)-5-[4-[4-(1,5-diphenylpyrrol-2-yl)-2-phenyl-1,3-oxazol-5-yl]phenyl]-2-phenyl-1,3-oxazole
SMILESc1ccc(-c2nc(-c3ccc(-c4ccccc4)n3-c3ccccc3)c(-c3ccc(-c4oc(-c5ccccc5)nc4-c4ccc(-c5ccccc5)n4-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C56H38N4O2/c1-7-19-39(20-8-1)47-35-37-49(59(47)45-27-15-5-16-28-45)51-53(61-55(57-51)43-23-11-3-12-24-43)41-31-33-42(34-32-41)54-52(58-56(62-54)44-25-13-4-14-26-44)50-38-36-48(40-21-9-2-10-22-40)60(50)46-29-17-6-18-30-46/h1-38H
InChIKeySHAUNDGZRAWTHV-UHFFFAOYSA-N
MW798.95 g/mol
LogP14.58
Rot. Bonds10

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

4-(1,5-diphenylpyrrol-2-yl)-5-[4-[4-(1,5-diphenylpyrrol-2-yl)-2-phenyl-1,3-oxazol-5-yl]phenyl]-2-phenyl-1,3-oxazole (PubChem CID 164667881) has the molecular formula C56H38N4O2 and a molecular weight of 798.95 g/mol. Its IUPAC name is 4-(1,5-diphenylpyrrol-2-yl)-5-[4-[4-(1,5-diphenylpyrrol-2-yl)-2-phenyl-1,3-oxazol-5-yl]phenyl]-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-(1,5-diphenylpyrrol-2-yl)-5-[4-[4-(1,5-diphenylpyrrol-2-yl)-2-phenyl-1,3-oxazol-5-yl]phenyl]-2-phenyl-1,3-oxazole
PubChem CID164667881
Molecular FormulaC56H38N4O2
Molecular Weight798.95 g/mol
Exact Mass798.30
IUPAC Name4-(1,5-diphenylpyrrol-2-yl)-5-[4-[4-(1,5-diphenylpyrrol-2-yl)-2-phenyl-1,3-oxazol-5-yl]phenyl]-2-phenyl-1,3-oxazole
SMILESc1ccc(-c2nc(-c3ccc(-c4ccccc4)n3-c3ccccc3)c(-c3ccc(-c4oc(-c5ccccc5)nc4-c4ccc(-c5ccccc5)n4-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C56H38N4O2/c1-7-19-39(20-8-1)47-35-37-49(59(47)45-27-15-5-16-28-45)51-53(61-55(57-51)43-23-11-3-12-24-43)41-31-33-42(34-32-41)54-52(58-56(62-54)44-25-13-4-14-26-44)50-38-36-48(40-21-9-2-10-22-40)60(50)46-29-17-6-18-30-46/h1-38H
InChIKeySHAUNDGZRAWTHV-UHFFFAOYSA-N
XLogP14.58
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.95
LogP ≤ 514.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(1,5-diphenylpyrrol-2-yl)-5-[4-[4-(1,5-diphenylpyrrol-2-yl)-2-phenyl-1,3-oxazol-5-yl]phenyl]-2-phenyl-1,3-oxazole with MolForge

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Related Compounds

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CID 78410911
5-Methyl-2-[4-(4-methyl-5-phenyl(1,3-oxazol-2-yl))phenyl]-4-phenyl-1,3-oxazole
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Frequently Asked Questions

What is the IUPAC name of 4-(1,5-diphenylpyrrol-2-yl)-5-[4-[4-(1,5-diphenylpyrrol-2-yl)-2-phenyl-1,3-oxazol-5-yl]phenyl]-2-phenyl-1,3-oxazole?
The IUPAC name of 4-(1,5-diphenylpyrrol-2-yl)-5-[4-[4-(1,5-diphenylpyrrol-2-yl)-2-phenyl-1,3-oxazol-5-yl]phenyl]-2-phenyl-1,3-oxazole (CID 164667881) is 4-(1,5-diphenylpyrrol-2-yl)-5-[4-[4-(1,5-diphenylpyrrol-2-yl)-2-phenyl-1,3-oxazol-5-yl]phenyl]-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-(1,5-diphenylpyrrol-2-yl)-5-[4-[4-(1,5-diphenylpyrrol-2-yl)-2-phenyl-1,3-oxazol-5-yl]phenyl]-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-(1,5-diphenylpyrrol-2-yl)-5-[4-[4-(1,5-diphenylpyrrol-2-yl)-2-phenyl-1,3-oxazol-5-yl]phenyl]-2-phenyl-1,3-oxazole is c1ccc(-c2nc(-c3ccc(-c4ccccc4)n3-c3ccccc3)c(-c3ccc(-c4oc(-c5ccccc5)nc4-c4ccc(-c5ccccc5)n4-c4ccccc4)cc3)o2)cc1.
What is the InChIKey of 4-(1,5-diphenylpyrrol-2-yl)-5-[4-[4-(1,5-diphenylpyrrol-2-yl)-2-phenyl-1,3-oxazol-5-yl]phenyl]-2-phenyl-1,3-oxazole?
The InChIKey is SHAUNDGZRAWTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N4O2/c1-7-19-39(20-8-1)47-35-37-49(59(47)45-27-15-5-16-28-45)51-53(61-55(57-51)43-23-11-3-12-24-43)41-31-33-42(34-32-41)54-52(58-56(62-54)44-25-13-4-14-26-44)50-38-36-48(40-21-9-2-10-22-40)60(50)46-29-17-6-18-30-46/h1-38H.
What are the key properties of 4-(1,5-diphenylpyrrol-2-yl)-5-[4-[4-(1,5-diphenylpyrrol-2-yl)-2-phenyl-1,3-oxazol-5-yl]phenyl]-2-phenyl-1,3-oxazole?
4-(1,5-diphenylpyrrol-2-yl)-5-[4-[4-(1,5-diphenylpyrrol-2-yl)-2-phenyl-1,3-oxazol-5-yl]phenyl]-2-phenyl-1,3-oxazole has a molecular weight of 798.95 g/mol, XLogP of 14.58, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-diphenylpyrrol-2-yl)-5-[4-[4-(1,5-diphenylpyrrol-2-yl)-2-phenyl-1,3-oxazol-5-yl]phenyl]-2-phenyl-1,3-oxazole is sourced from PubChem (CID 164667881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).