4-(4-fluorophenyl)-2-(4-methylphenyl)-5-pyridin-4-yl-1,3-oxazole;tris(4-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine);4-[5-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)-3H-pyrrol-4-yl]pyridine

C111H87F5N10O — CID 161112235

IUPAC4-(4-fluorophenyl)-2-(4-methylphenyl)-5-pyridin-4-yl-1,3-oxazole;tris(4-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine);4-[5-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)-3H-pyrrol-4-yl]pyridine
SMILESCc1cc(C)c(C2=NC(c3ccc(F)cc3)=C(c3ccncc3)C2)c(C)c1.Cc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)o2)cc1.Cc1ccc(C2=NC(c3ccc(F)cc3)=C(c3ccncc3)C2)cc1.Cc1ccc(C2=NC(c3ccc(F)cc3)=C(c3ccncc3)C2)cc1.Cc1ccc(C2=NC(c3ccc(F)cc3)=C(c3ccncc3)C2)cc1
InChIInChI=1S/C24H21FN2.3C22H17FN2.C21H15FN2O/c1-15-12-16(2)23(17(3)13-15)22-14-21(18-8-10-26-11-9-18)24(27-22)19-4-6-20(25)7-5-19;3*1-15-2-4-17(5-3-15)21-14-20(16-10-12-24-13-11-16)22(25-21)18-6-8-19(23)9-7-18;1-14-2-4-17(5-3-14)21-24-19(15-6-8-18(22)9-7-15)20(25-21)16-10-12-23-13-11-16/h4-13H,14H2,1-3H3;3*2-13H,14H2,1H3;2-13H,1H3
InChIKeyUJVPHONYGRKRIB-UHFFFAOYSA-N
MW1671.98 g/mol
LogP27.30
Rot. Bonds15

About 4-(4-fluorophenyl)-2-(4-methylphenyl)-5-pyridin-4-yl-1,3-oxazole;tris(4-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine);4-[5-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)-3H-pyrrol-4-yl]pyridine

4-(4-fluorophenyl)-2-(4-methylphenyl)-5-pyridin-4-yl-1,3-oxazole;tris(4-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine);4-[5-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)-3H-pyrrol-4-yl]pyridine (PubChem CID 161112235) has the molecular formula C111H87F5N10O and a molecular weight of 1671.98 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-(4-methylphenyl)-5-pyridin-4-yl-1,3-oxazole;tris(4-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine);4-[5-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)-3H-pyrrol-4-yl]pyridine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-(4-methylphenyl)-5-pyridin-4-yl-1,3-oxazole;tris(4-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine);4-[5-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)-3H-pyrrol-4-yl]pyridine
PubChem CID161112235
Molecular FormulaC111H87F5N10O
Molecular Weight1671.98 g/mol
Exact Mass1670.70
IUPAC Name4-(4-fluorophenyl)-2-(4-methylphenyl)-5-pyridin-4-yl-1,3-oxazole;tris(4-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine);4-[5-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)-3H-pyrrol-4-yl]pyridine
SMILESCc1cc(C)c(C2=NC(c3ccc(F)cc3)=C(c3ccncc3)C2)c(C)c1.Cc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)o2)cc1.Cc1ccc(C2=NC(c3ccc(F)cc3)=C(c3ccncc3)C2)cc1.Cc1ccc(C2=NC(c3ccc(F)cc3)=C(c3ccncc3)C2)cc1.Cc1ccc(C2=NC(c3ccc(F)cc3)=C(c3ccncc3)C2)cc1
InChIInChI=1S/C24H21FN2.3C22H17FN2.C21H15FN2O/c1-15-12-16(2)23(17(3)13-15)22-14-21(18-8-10-26-11-9-18)24(27-22)19-4-6-20(25)7-5-19;3*1-15-2-4-17(5-3-15)21-14-20(16-10-12-24-13-11-16)22(25-21)18-6-8-19(23)9-7-18;1-14-2-4-17(5-3-14)21-24-19(15-6-8-18(22)9-7-15)20(25-21)16-10-12-23-13-11-16/h4-13H,14H2,1-3H3;3*2-13H,14H2,1H3;2-13H,1H3
InChIKeyUJVPHONYGRKRIB-UHFFFAOYSA-N
XLogP27.30
TPSA139.92 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001671.98
LogP ≤ 527.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 4-(4-fluorophenyl)-2-(4-methylphenyl)-5-pyridin-4-yl-1,3-oxazole;tris(4-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine);4-[5-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)-3H-pyrrol-4-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-(4-methylphenyl)-5-pyridin-4-yl-1,3-oxazole;tris(4-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine);4-[5-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)-3H-pyrrol-4-yl]pyridine?
The IUPAC name of 4-(4-fluorophenyl)-2-(4-methylphenyl)-5-pyridin-4-yl-1,3-oxazole;tris(4-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine);4-[5-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)-3H-pyrrol-4-yl]pyridine (CID 161112235) is 4-(4-fluorophenyl)-2-(4-methylphenyl)-5-pyridin-4-yl-1,3-oxazole;tris(4-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine);4-[5-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)-3H-pyrrol-4-yl]pyridine.
What is the SMILES notation for 4-(4-fluorophenyl)-2-(4-methylphenyl)-5-pyridin-4-yl-1,3-oxazole;tris(4-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine);4-[5-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)-3H-pyrrol-4-yl]pyridine?
The canonical SMILES for 4-(4-fluorophenyl)-2-(4-methylphenyl)-5-pyridin-4-yl-1,3-oxazole;tris(4-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine);4-[5-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)-3H-pyrrol-4-yl]pyridine is Cc1cc(C)c(C2=NC(c3ccc(F)cc3)=C(c3ccncc3)C2)c(C)c1.Cc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)o2)cc1.Cc1ccc(C2=NC(c3ccc(F)cc3)=C(c3ccncc3)C2)cc1.Cc1ccc(C2=NC(c3ccc(F)cc3)=C(c3ccncc3)C2)cc1.Cc1ccc(C2=NC(c3ccc(F)cc3)=C(c3ccncc3)C2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-(4-methylphenyl)-5-pyridin-4-yl-1,3-oxazole;tris(4-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine);4-[5-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)-3H-pyrrol-4-yl]pyridine?
The InChIKey is UJVPHONYGRKRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2.3C22H17FN2.C21H15FN2O/c1-15-12-16(2)23(17(3)13-15)22-14-21(18-8-10-26-11-9-18)24(27-22)19-4-6-20(25)7-5-19;3*1-15-2-4-17(5-3-15)21-14-20(16-10-12-24-13-11-16)22(25-21)18-6-8-19(23)9-7-18;1-14-2-4-17(5-3-14)21-24-19(15-6-8-18(22)9-7-15)20(25-21)16-10-12-23-13-11-16/h4-13H,14H2,1-3H3;3*2-13H,14H2,1H3;2-13H,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-(4-methylphenyl)-5-pyridin-4-yl-1,3-oxazole;tris(4-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine);4-[5-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)-3H-pyrrol-4-yl]pyridine?
4-(4-fluorophenyl)-2-(4-methylphenyl)-5-pyridin-4-yl-1,3-oxazole;tris(4-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine);4-[5-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)-3H-pyrrol-4-yl]pyridine has a molecular weight of 1671.98 g/mol, XLogP of 27.30, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-(4-methylphenyl)-5-pyridin-4-yl-1,3-oxazole;tris(4-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine);4-[5-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)-3H-pyrrol-4-yl]pyridine is sourced from PubChem (CID 161112235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).