2-[5-[7'-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole

C45H36N4O2 — CID 135249963

IUPAC2-[5-[7'-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccc(C6=NC(C)(C)CO6)nc5)ccc3-4)cn2)=N1
InChIInChI=1S/C45H36N4O2/c1-43(2)25-50-41(48-43)39-19-15-29(23-46-39)27-13-17-33-34-18-14-28(30-16-20-40(47-24-30)42-49-44(3,4)26-51-42)22-38(34)45(37(33)21-27)35-11-7-5-9-31(35)32-10-6-8-12-36(32)45/h5-24H,25-26H2,1-4H3
InChIKeyVEZVBRGJUQDHSR-UHFFFAOYSA-N
MW664.81 g/mol
LogP9.26
Rot. Bonds4

About 2-[5-[7'-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole

2-[5-[7'-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 135249963) has the molecular formula C45H36N4O2 and a molecular weight of 664.81 g/mol. Its IUPAC name is 2-[5-[7'-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[5-[7'-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID135249963
Molecular FormulaC45H36N4O2
Molecular Weight664.81 g/mol
Exact Mass664.28
IUPAC Name2-[5-[7'-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccc(C6=NC(C)(C)CO6)nc5)ccc3-4)cn2)=N1
InChIInChI=1S/C45H36N4O2/c1-43(2)25-50-41(48-43)39-19-15-29(23-46-39)27-13-17-33-34-18-14-28(30-16-20-40(47-24-30)42-49-44(3,4)26-51-42)22-38(34)45(37(33)21-27)35-11-7-5-9-31(35)32-10-6-8-12-36(32)45/h5-24H,25-26H2,1-4H3
InChIKeyVEZVBRGJUQDHSR-UHFFFAOYSA-N
XLogP9.26
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.81
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-[7'-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole with MolForge

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Launch Full Analysis

Related Compounds

2-[10-(4-phenylphenyl)anthracen-9-yl]-5-(9,9'-spirobi[fluorene]-2-yl)pyridine
CID 153288517
2-[5-[3-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole
CID 135250102
2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 146633338
2-phenyl-5-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 130261195
2-(9,9-dimethylfluoren-2-yl)-5-phenylpyridine
CID 59859383
2-(4-tert-butylphenyl)-5-[2'-[2-(4-tert-butylphenyl)pyrimidin-5-yl]-9,9'-spirobi[fluorene]-2-yl]pyrimidine
CID 164717287
2-[2'-(9,9'-spirobi[fluorene]-2-yl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-yl]-9,9'-spirobi[fluorene]
CID 144602980
2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyrimidine
CID 146632584
5-(9H-fluoren-2-yl)-2-[5-(9H-fluoren-2-yl)-2-pyridinyl]pyridine
CID 86049037
4,4-dimethyl-2-[2-(4-methylphenyl)phenyl]-5H-1,3-oxazole
CID 688301
2-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]spiro[fluorene-9,9'-indeno[2,1-c]pyridine]
CID 147563141
5-[9,10-bis(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-2-pyridin-3-ylpyridine
CID 90361785

Frequently Asked Questions

What is the IUPAC name of 2-[5-[7'-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[5-[7'-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole (CID 135249963) is 2-[5-[7'-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[5-[7'-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[5-[7'-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccc(C6=NC(C)(C)CO6)nc5)ccc3-4)cn2)=N1.
What is the InChIKey of 2-[5-[7'-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is VEZVBRGJUQDHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36N4O2/c1-43(2)25-50-41(48-43)39-19-15-29(23-46-39)27-13-17-33-34-18-14-28(30-16-20-40(47-24-30)42-49-44(3,4)26-51-42)22-38(34)45(37(33)21-27)35-11-7-5-9-31(35)32-10-6-8-12-36(32)45/h5-24H,25-26H2,1-4H3.
What are the key properties of 2-[5-[7'-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[5-[7'-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 664.81 g/mol, XLogP of 9.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[7'-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 135249963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).