5-methyl-2-[3-[7-[3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine

C41H24F6N4O2 — CID 59738972

IUPAC5-methyl-2-[3-[7-[3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine
SMILESCc1ccc2oc(-c3cccc(-c4ccc5c(c4)C(C(F)(F)F)(C(F)(F)F)c4cc(-c6cccc(-c7nc8nc(C)ccc8o7)c6)ccc4-5)c3)nc2n1
InChIInChI=1S/C41H24F6N4O2/c1-21-9-15-33-35(48-21)50-37(52-33)27-7-3-5-23(17-27)25-11-13-29-30-14-12-26(20-32(30)39(31(29)19-25,40(42,43)44)41(45,46)47)24-6-4-8-28(18-24)38-51-36-34(53-38)16-10-22(2)49-36/h3-20H,1-2H3
InChIKeyARQNJYBCRKYOPY-UHFFFAOYSA-N
MW718.66 g/mol
LogP11.43
Rot. Bonds4

About 5-methyl-2-[3-[7-[3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine

5-methyl-2-[3-[7-[3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 59738972) has the molecular formula C41H24F6N4O2 and a molecular weight of 718.66 g/mol. Its IUPAC name is 5-methyl-2-[3-[7-[3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-methyl-2-[3-[7-[3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine
PubChem CID59738972
Molecular FormulaC41H24F6N4O2
Molecular Weight718.66 g/mol
Exact Mass718.18
IUPAC Name5-methyl-2-[3-[7-[3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine
SMILESCc1ccc2oc(-c3cccc(-c4ccc5c(c4)C(C(F)(F)F)(C(F)(F)F)c4cc(-c6cccc(-c7nc8nc(C)ccc8o7)c6)ccc4-5)c3)nc2n1
InChIInChI=1S/C41H24F6N4O2/c1-21-9-15-33-35(48-21)50-37(52-33)27-7-3-5-23(17-27)25-11-13-29-30-14-12-26(20-32(30)39(31(29)19-25,40(42,43)44)41(45,46)47)24-6-4-8-28(18-24)38-51-36-34(53-38)16-10-22(2)49-36/h3-20H,1-2H3
InChIKeyARQNJYBCRKYOPY-UHFFFAOYSA-N
XLogP11.43
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.66
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[3-[7-[3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 5-methyl-2-[3-[7-[3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine (CID 59738972) is 5-methyl-2-[3-[7-[3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 5-methyl-2-[3-[7-[3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 5-methyl-2-[3-[7-[3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine is Cc1ccc2oc(-c3cccc(-c4ccc5c(c4)C(C(F)(F)F)(C(F)(F)F)c4cc(-c6cccc(-c7nc8nc(C)ccc8o7)c6)ccc4-5)c3)nc2n1.
What is the InChIKey of 5-methyl-2-[3-[7-[3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is ARQNJYBCRKYOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24F6N4O2/c1-21-9-15-33-35(48-21)50-37(52-33)27-7-3-5-23(17-27)25-11-13-29-30-14-12-26(20-32(30)39(31(29)19-25,40(42,43)44)41(45,46)47)24-6-4-8-28(18-24)38-51-36-34(53-38)16-10-22(2)49-36/h3-20H,1-2H3.
What are the key properties of 5-methyl-2-[3-[7-[3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine?
5-methyl-2-[3-[7-[3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 718.66 g/mol, XLogP of 11.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[3-[7-[3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 59738972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).