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

C41H30N4O2 — CID 59738976

IUPAC2-[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
SMILESCc1ccc2oc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6cccc(-c7nc8nc(C)ccc8o7)c6)ccc4-5)c3)nc2n1
InChIInChI=1S/C41H30N4O2/c1-23-11-17-35-37(42-23)44-39(46-35)29-9-5-7-25(19-29)27-13-15-31-32-16-14-28(22-34(32)41(3,4)33(31)21-27)26-8-6-10-30(20-26)40-45-38-36(47-40)18-12-24(2)43-38/h5-22H,1-4H3
InChIKeyXBIUVZIMGDTWRM-UHFFFAOYSA-N
MW610.72 g/mol
LogP10.35
Rot. Bonds4

About 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

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 (PubChem CID 59738976) has the molecular formula C41H30N4O2 and a molecular weight of 610.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID59738976
Molecular FormulaC41H30N4O2
Molecular Weight610.72 g/mol
Exact Mass610.24
IUPAC Name2-[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
SMILESCc1ccc2oc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6cccc(-c7nc8nc(C)ccc8o7)c6)ccc4-5)c3)nc2n1
InChIInChI=1S/C41H30N4O2/c1-23-11-17-35-37(42-23)44-39(46-35)29-9-5-7-25(19-29)27-13-15-31-32-16-14-28(22-34(32)41(3,4)33(31)21-27)26-8-6-10-30(20-26)40-45-38-36(47-40)18-12-24(2)43-38/h5-22H,1-4H3
InChIKeyXBIUVZIMGDTWRM-UHFFFAOYSA-N
XLogP10.35
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.72
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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
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
2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene
CID 58943521
5-methyl-2-[5-methyl-6-[4-[4-[3-methyl-6-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]phenyl]phenyl]-2-pyridinyl]-[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;5-methyl-2-[3-[4-[4-[3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1,3]oxazolo[4,5-b]pyridine;5-methyl-2-[6-[4-[4-[6-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]phenyl]phenyl]-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine;2-[3-[7-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,8-naphthyridin-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-[3-[3-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-[3-[4-[4-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-[3-[6-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-b]pyridine
CID 160519109
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-1,3-benzoxazole
CID 70830039
4,5,6,7-tetradeuterio-2-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)-5-(4,5,6,7-tetradeuterio-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 164803847
2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)phenyl]phenyl]-1,3-benzoxazole
CID 164803936
N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)anilino]phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 155473483
2-[4-[3-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]naphthalen-1-yl]-1,3-benzoxazole
CID 164803943

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2oc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6cccc(-c7nc8nc(C)ccc8o7)c6)ccc4-5)c3)nc2n1.
What is the InChIKey of 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?
The InChIKey is XBIUVZIMGDTWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N4O2/c1-23-11-17-35-37(42-23)44-39(46-35)29-9-5-7-25(19-29)27-13-15-31-32-16-14-28(22-34(32)41(3,4)33(31)21-27)26-8-6-10-30(20-26)40-45-38-36(47-40)18-12-24(2)43-38/h5-22H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 610.72 g/mol, XLogP of 10.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59738976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).