2-phenyl-5-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)-1,3,4-oxadiazole;3-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-2-pyridinyl)pyridazine;4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)quinazoline

C122H75N9O4 — CID 159663692

About 2-phenyl-5-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)-1,3,4-oxadiazole;3-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-2-pyridinyl)pyridazine;4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)quinazoline

2-phenyl-5-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)-1,3,4-oxadiazole;3-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-2-pyridinyl)pyridazine;4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)quinazoline (PubChem CID 159663692) has the molecular formula C122H75N9O4 and a molecular weight of 1731.00 g/mol. Its IUPAC name is 2-phenyl-5-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)-1,3,4-oxadiazole;3-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-2-pyridinyl)pyridazine;4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)quinazoline.

Molecular Properties

• Compound Name: 2-phenyl-5-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)-1,3,4-oxadiazole;3-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-2-pyridinyl)pyridazine;4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)quinazoline
• PubChem CID: 159663692
• Molecular Formula: C122H75N9O4
• Molecular Weight: 1731.00 g/mol
• Exact Mass: 1729.59
• IUPAC Name: 2-phenyl-5-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)-1,3,4-oxadiazole;3-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-2-pyridinyl)pyridazine;4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)quinazoline
• SMILES: c1ccc(-c2ccc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)n3)nn2)cc1.c1ccc(-c2nc(-c3cccnc3-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)nc3ccccc23)cc1.c1ccc(-c2nnc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)nc3)o2)cc1
• InChI: InChI=1S/C44H27N3O.C40H25N3O.C38H23N3O2/c1-2-13-28(14-3-1)42-32-17-6-10-22-38(32)46-43(47-42)33-18-12-26-45-41(33)29-24-25-40-37(27-29)44(36-21-9-11-23-39(36)48-40)34-19-7-4-15-30(34)31-16-5-8-20-35(31)44;1-2-11-26(12-3-1)35-22-23-37(43-42-35)36-19-10-18-34(41-36)27-21-24-39-33(25-27)40(32-17-8-9-20-38(32)44-39)30-15-6-4-13-28(30)29-14-5-7-16-31(29)40;1-2-10-24(11-3-1)36-40-41-37(43-36)26-18-20-33(39-23-26)25-19-21-35-32(22-25)38(31-16-8-9-17-34(31)42-35)29-14-6-4-12-27(29)28-13-5-7-15-30(28)38/h1-27H;1-25H;1-23H
• InChIKey: MTDCYUBNWHMRIN-UHFFFAOYSA-N
• XLogP: 28.77
• TPSA: 156.84 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1731.00
LogP ≤ 5	28.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)-1,3,4-oxadiazole;3-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-2-pyridinyl)pyridazine;4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)quinazoline?

The IUPAC name of 2-phenyl-5-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)-1,3,4-oxadiazole;3-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-2-pyridinyl)pyridazine;4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)quinazoline (CID 159663692) is 2-phenyl-5-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)-1,3,4-oxadiazole;3-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-2-pyridinyl)pyridazine;4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)quinazoline.

What is the SMILES notation for 2-phenyl-5-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)-1,3,4-oxadiazole;3-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-2-pyridinyl)pyridazine;4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)quinazoline?

The canonical SMILES for 2-phenyl-5-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)-1,3,4-oxadiazole;3-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-2-pyridinyl)pyridazine;4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)quinazoline is c1ccc(-c2ccc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)n3)nn2)cc1.c1ccc(-c2nc(-c3cccnc3-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)nc3ccccc23)cc1.c1ccc(-c2nnc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)nc3)o2)cc1.

What is the InChIKey of 2-phenyl-5-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)-1,3,4-oxadiazole;3-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-2-pyridinyl)pyridazine;4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)quinazoline?

The InChIKey is MTDCYUBNWHMRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N3O.C40H25N3O.C38H23N3O2/c1-2-13-28(14-3-1)42-32-17-6-10-22-38(32)46-43(47-42)33-18-12-26-45-41(33)29-24-25-40-37(27-29)44(36-21-9-11-23-39(36)48-40)34-19-7-4-15-30(34)31-16-5-8-20-35(31)44;1-2-11-26(12-3-1)35-22-23-37(43-42-35)36-19-10-18-34(41-36)27-21-24-39-33(25-27)40(32-17-8-9-20-38(32)44-39)30-15-6-4-13-28(30)29-14-5-7-16-31(29)40;1-2-10-24(11-3-1)36-40-41-37(43-36)26-18-20-33(39-23-26)25-19-21-35-32(22-25)38(31-16-8-9-17-34(31)42-35)29-14-6-4-12-27(29)28-13-5-7-15-30(28)38/h1-27H;1-25H;1-23H.

What are the key properties of 2-phenyl-5-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)-1,3,4-oxadiazole;3-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-2-pyridinyl)pyridazine;4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)quinazoline?

2-phenyl-5-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)-1,3,4-oxadiazole;3-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-2-pyridinyl)pyridazine;4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)quinazoline has a molecular weight of 1731.00 g/mol, XLogP of 28.77, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-5-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)-1,3,4-oxadiazole;3-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-2-pyridinyl)pyridazine;4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)quinazoline is sourced from PubChem (CID 159663692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).