4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;2-(4-phenylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline;4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline

C137H86N6O3 — CID 159835450

About 4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;2-(4-phenylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline;4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline

4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;2-(4-phenylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline;4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline (PubChem CID 159835450) has the molecular formula C137H86N6O3 and a molecular weight of 1864.23 g/mol. Its IUPAC name is 4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;2-(4-phenylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline;4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline.

Molecular Properties

• Compound Name: 4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;2-(4-phenylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline;4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline
• PubChem CID: 159835450
• Molecular Formula: C137H86N6O3
• Molecular Weight: 1864.23 g/mol
• Exact Mass: 1862.68
• IUPAC Name: 4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;2-(4-phenylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline;4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline
• SMILES: c1ccc(-c2ccc(-c3nc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)c4ccccc4n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)nc4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)n3)cc2)cc1
• InChI: InChI=1S/C47H30N2O.2C45H28N2O/c1-3-14-31(15-4-1)32-26-28-34(29-27-32)46-48-41(33-16-5-2-6-17-33)30-42(49-46)36-19-13-23-40-45(36)35-18-7-8-20-37(35)47(40)38-21-9-11-24-43(38)50-44-25-12-10-22-39(44)47;1-2-13-29(14-3-1)30-25-27-31(28-26-30)44-46-39-22-9-5-16-33(39)43(47-44)34-17-12-21-38-42(34)32-15-4-6-18-35(32)45(38)36-19-7-10-23-40(36)48-41-24-11-8-20-37(41)45;1-2-13-29(14-3-1)30-25-27-31(28-26-30)43-33-16-5-9-22-39(33)46-44(47-43)34-17-12-21-38-42(34)32-15-4-6-18-35(32)45(38)36-19-7-10-23-40(36)48-41-24-11-8-20-37(41)45/h1-30H;2*1-28H
• InChIKey: NNZYTBRPOXDQGG-UHFFFAOYSA-N
• XLogP: 33.81
• TPSA: 105.03 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1864.23
LogP ≤ 5	33.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;2-(4-phenylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline;4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline?

The IUPAC name of 4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;2-(4-phenylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline;4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline (CID 159835450) is 4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;2-(4-phenylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline;4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline.

What is the SMILES notation for 4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;2-(4-phenylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline;4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline?

The canonical SMILES for 4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;2-(4-phenylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline;4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline is c1ccc(-c2ccc(-c3nc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)c4ccccc4n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)nc4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)n3)cc2)cc1.

What is the InChIKey of 4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;2-(4-phenylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline;4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline?

The InChIKey is NNZYTBRPOXDQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2O.2C45H28N2O/c1-3-14-31(15-4-1)32-26-28-34(29-27-32)46-48-41(33-16-5-2-6-17-33)30-42(49-46)36-19-13-23-40-45(36)35-18-7-8-20-37(35)47(40)38-21-9-11-24-43(38)50-44-25-12-10-22-39(44)47;1-2-13-29(14-3-1)30-25-27-31(28-26-30)44-46-39-22-9-5-16-33(39)43(47-44)34-17-12-21-38-42(34)32-15-4-6-18-35(32)45(38)36-19-7-10-23-40(36)48-41-24-11-8-20-37(41)45;1-2-13-29(14-3-1)30-25-27-31(28-26-30)43-33-16-5-9-22-39(33)46-44(47-43)34-17-12-21-38-42(34)32-15-4-6-18-35(32)45(38)36-19-7-10-23-40(36)48-41-24-11-8-20-37(41)45/h1-30H;2*1-28H.

What are the key properties of 4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;2-(4-phenylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline;4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline?

4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;2-(4-phenylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline;4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline has a molecular weight of 1864.23 g/mol, XLogP of 33.81, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;2-(4-phenylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline;4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline is sourced from PubChem (CID 159835450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).