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

C49H38N4O2 — CID 135250402

IUPAC2-[5-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-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)c5ccccc5c3-4)cn2)=N1
InChIInChI=1S/C49H38N4O2/c1-47(2)27-54-45(52-47)42-21-18-30(25-50-42)29-17-20-36-40(23-29)49(38-15-9-7-12-33(38)34-13-8-10-16-39(34)49)41-24-37(32-11-5-6-14-35(32)44(36)41)31-19-22-43(51-26-31)46-53-48(3,4)28-55-46/h5-26H,27-28H2,1-4H3
InChIKeyMQMWQAPSSQATOR-UHFFFAOYSA-N
MW714.87 g/mol
LogP10.42
Rot. Bonds4

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

2-[5-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 135250402) has the molecular formula C49H38N4O2 and a molecular weight of 714.87 g/mol. Its IUPAC name is 2-[5-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[5-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID135250402
Molecular FormulaC49H38N4O2
Molecular Weight714.87 g/mol
Exact Mass714.30
IUPAC Name2-[5-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-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)c5ccccc5c3-4)cn2)=N1
InChIInChI=1S/C49H38N4O2/c1-47(2)27-54-45(52-47)42-21-18-30(25-50-42)29-17-20-36-40(23-29)49(38-15-9-7-12-33(38)34-13-8-10-16-39(34)49)41-24-37(32-11-5-6-14-35(32)44(36)41)31-19-22-43(51-26-31)46-53-48(3,4)28-55-46/h5-26H,27-28H2,1-4H3
InChIKeyMQMWQAPSSQATOR-UHFFFAOYSA-N
XLogP10.42
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[5-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole (CID 135250402) is 2-[5-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[5-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[5-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-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)c5ccccc5c3-4)cn2)=N1.
What is the InChIKey of 2-[5-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is MQMWQAPSSQATOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H38N4O2/c1-47(2)27-54-45(52-47)42-21-18-30(25-50-42)29-17-20-36-40(23-29)49(38-15-9-7-12-33(38)34-13-8-10-16-39(34)49)41-24-37(32-11-5-6-14-35(32)44(36)41)31-19-22-43(51-26-31)46-53-48(3,4)28-55-46/h5-26H,27-28H2,1-4H3.
What are the key properties of 2-[5-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[5-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 714.87 g/mol, XLogP of 10.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 135250402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).