4-phenyl-2-[3-[6-[6-[4-[6-(4-pyridin-2-ylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl]phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidine

C97H59N7O2 — CID 139307466

About 4-phenyl-2-[3-[6-[6-[4-[6-(4-pyridin-2-ylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl]phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidine

4-phenyl-2-[3-[6-[6-[4-[6-(4-pyridin-2-ylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl]phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidine (PubChem CID 139307466) has the molecular formula C97H59N7O2 and a molecular weight of 1354.59 g/mol. Its IUPAC name is 4-phenyl-2-[3-[6-[6-[4-[6-(4-pyridin-2-ylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl]phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidine.

Molecular Properties

• Compound Name: 4-phenyl-2-[3-[6-[6-[4-[6-(4-pyridin-2-ylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl]phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidine
• PubChem CID: 139307466
• Molecular Formula: C97H59N7O2
• Molecular Weight: 1354.59 g/mol
• Exact Mass: 1353.47
• IUPAC Name: 4-phenyl-2-[3-[6-[6-[4-[6-(4-pyridin-2-ylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl]phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidine
• SMILES: c1ccc(-c2cc(-c3cccc4c3C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)nc(-c3cccc(-c4cccc(-c5ccc(-c6ccc(-c7cc(-c8ccc(-c9ccccn9)cc8)nc(-c8cccc9c8C8(c%10ccccc%10Oc%10ccccc%108)c8ccccc8-9)n7)cc6)nc5)n4)c3)n2)cc1
• InChI: InChI=1S/C97H59N7O2/c1-2-22-60(23-3-1)86-58-87(72-30-19-28-70-68-26-4-6-32-74(68)96(92(70)72)76-34-8-12-41-88(76)105-89-42-13-9-35-77(89)96)104-94(101-86)66-25-18-24-65(56-66)82-39-21-40-83(100-82)67-53-54-81(99-59-67)62-47-51-64(52-48-62)85-57-84(63-49-45-61(46-50-63)80-38-16-17-55-98-80)102-95(103-85)73-31-20-29-71-69-27-5-7-33-75(69)97(93(71)73)78-36-10-14-43-90(78)106-91-44-15-11-37-79(91)97/h1-59H
• InChIKey: JCPBKPNQFWGGPT-UHFFFAOYSA-N
• XLogP: 23.06
• TPSA: 108.69 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1354.59
LogP ≤ 5	23.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[3-[6-[6-[4-[6-(4-pyridin-2-ylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl]phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidine?

The IUPAC name of 4-phenyl-2-[3-[6-[6-[4-[6-(4-pyridin-2-ylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl]phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidine (CID 139307466) is 4-phenyl-2-[3-[6-[6-[4-[6-(4-pyridin-2-ylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl]phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidine.

What is the SMILES notation for 4-phenyl-2-[3-[6-[6-[4-[6-(4-pyridin-2-ylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl]phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidine?

The canonical SMILES for 4-phenyl-2-[3-[6-[6-[4-[6-(4-pyridin-2-ylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl]phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidine is c1ccc(-c2cc(-c3cccc4c3C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)nc(-c3cccc(-c4cccc(-c5ccc(-c6ccc(-c7cc(-c8ccc(-c9ccccn9)cc8)nc(-c8cccc9c8C8(c%10ccccc%10Oc%10ccccc%108)c8ccccc8-9)n7)cc6)nc5)n4)c3)n2)cc1.

What is the InChIKey of 4-phenyl-2-[3-[6-[6-[4-[6-(4-pyridin-2-ylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl]phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidine?

The InChIKey is JCPBKPNQFWGGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H59N7O2/c1-2-22-60(23-3-1)86-58-87(72-30-19-28-70-68-26-4-6-32-74(68)96(92(70)72)76-34-8-12-41-88(76)105-89-42-13-9-35-77(89)96)104-94(101-86)66-25-18-24-65(56-66)82-39-21-40-83(100-82)67-53-54-81(99-59-67)62-47-51-64(52-48-62)85-57-84(63-49-45-61(46-50-63)80-38-16-17-55-98-80)102-95(103-85)73-31-20-29-71-69-27-5-7-33-75(69)97(93(71)73)78-36-10-14-43-90(78)106-91-44-15-11-37-79(91)97/h1-59H.

What are the key properties of 4-phenyl-2-[3-[6-[6-[4-[6-(4-pyridin-2-ylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl]phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidine?

4-phenyl-2-[3-[6-[6-[4-[6-(4-pyridin-2-ylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl]phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidine has a molecular weight of 1354.59 g/mol, XLogP of 23.06, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-phenyl-2-[3-[6-[6-[4-[6-(4-pyridin-2-ylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl]phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidine is sourced from PubChem (CID 139307466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).