2-[3-[7-[3-(6,7-dihydro-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine

C39H28N4O2 — CID 70803526

IUPAC2-[3-[7-[3-(6,7-dihydro-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine
SMILESCC1(C)c2cc(-c3cccc(-c4nc5c(o4)CCC=N5)c3)ccc2-c2ccc(-c3cccc(-c4nc5ncccc5o4)c3)cc21
InChIInChI=1S/C39H28N4O2/c1-39(2)31-21-25(23-7-3-9-27(19-23)37-42-35-33(44-37)11-5-17-40-35)13-15-29(31)30-16-14-26(22-32(30)39)24-8-4-10-28(20-24)38-43-36-34(45-38)12-6-18-41-36/h3-5,7-11,13-22H,6,12H2,1-2H3
InChIKeyATKUNQJZVVKESH-UHFFFAOYSA-N
MW584.68 g/mol
LogP9.83
Rot. Bonds4

About 2-[3-[7-[3-(6,7-dihydro-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine

2-[3-[7-[3-(6,7-dihydro-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 70803526) has the molecular formula C39H28N4O2 and a molecular weight of 584.68 g/mol. Its IUPAC name is 2-[3-[7-[3-(6,7-dihydro-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[3-[7-[3-(6,7-dihydro-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine
PubChem CID70803526
Molecular FormulaC39H28N4O2
Molecular Weight584.68 g/mol
Exact Mass584.22
IUPAC Name2-[3-[7-[3-(6,7-dihydro-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine
SMILESCC1(C)c2cc(-c3cccc(-c4nc5c(o4)CCC=N5)c3)ccc2-c2ccc(-c3cccc(-c4nc5ncccc5o4)c3)cc21
InChIInChI=1S/C39H28N4O2/c1-39(2)31-21-25(23-7-3-9-27(19-23)37-42-35-33(44-37)11-5-17-40-35)13-15-29(31)30-16-14-26(22-32(30)39)24-8-4-10-28(20-24)38-43-36-34(45-38)12-6-18-41-36/h3-5,7-11,13-22H,6,12H2,1-2H3
InChIKeyATKUNQJZVVKESH-UHFFFAOYSA-N
XLogP9.83
TPSA77.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.68
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-[7-[3-(6,7-dihydro-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine with MolForge

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Related Compounds

2-[3-[9,9-dimethyl-7-[3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]fluoren-2-yl]phenyl]-5-methyl-[1,3]oxazolo[4,5-b]pyridine
CID 59738976
2-[3-[3-[3-(1,3-benzoxazol-2-yl)phenyl]-5-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 164803850
2-[3-(1,3-benzoxazol-2-yl)-5-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 164803799
2-(5,5,15,15,25,25-hexamethyl-22-phenyl-8-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaenyl)-1,3-benzoxazole
CID 59413426
ethane;2-phenyl-[1,3]oxazolo[4,5-b]pyridine
CID 91297789
N,N-dimethyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;dihydrochloride
CID 22754817
2-[3-(1,3-benzoxazol-2-yl)-5-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-1,3-benzoxazole
CID 164803998
2-(3-methoxy-4-pyridin-2-ylphenyl)-[1,3]oxazolo[4,5-b]pyridine
CID 10286338
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-1,3-benzoxazole
CID 70830039
[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine
CID 22754802
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine
CID 153423317
N,N-dimethyl-1-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine
CID 22754796

Frequently Asked Questions

What is the IUPAC name of 2-[3-[7-[3-(6,7-dihydro-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-[3-[7-[3-(6,7-dihydro-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine (CID 70803526) is 2-[3-[7-[3-(6,7-dihydro-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-[3-[7-[3-(6,7-dihydro-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-[3-[7-[3-(6,7-dihydro-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine is CC1(C)c2cc(-c3cccc(-c4nc5c(o4)CCC=N5)c3)ccc2-c2ccc(-c3cccc(-c4nc5ncccc5o4)c3)cc21.
What is the InChIKey of 2-[3-[7-[3-(6,7-dihydro-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is ATKUNQJZVVKESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28N4O2/c1-39(2)31-21-25(23-7-3-9-27(19-23)37-42-35-33(44-37)11-5-17-40-35)13-15-29(31)30-16-14-26(22-32(30)39)24-8-4-10-28(20-24)38-43-36-34(45-38)12-6-18-41-36/h3-5,7-11,13-22H,6,12H2,1-2H3.
What are the key properties of 2-[3-[7-[3-(6,7-dihydro-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine?
2-[3-[7-[3-(6,7-dihydro-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 584.68 g/mol, XLogP of 9.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[7-[3-(6,7-dihydro-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 70803526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).