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

C99H59N5O2S — CID 146342999

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

2-[4-[6'-[4-[6-dibenzothiophen-3-yl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-4-phenyl-6-pyridin-2-ylpyrimidine (PubChem CID 146342999) has the molecular formula C99H59N5O2S and a molecular weight of 1382.66 g/mol. Its IUPAC name is 2-[4-[6'-[4-[6-dibenzothiophen-3-yl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-4-phenyl-6-pyridin-2-ylpyrimidine.

Molecular Properties

• Compound Name: 2-[4-[6'-[4-[6-dibenzothiophen-3-yl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-4-phenyl-6-pyridin-2-ylpyrimidine
• PubChem CID: 146342999
• Molecular Formula: C99H59N5O2S
• Molecular Weight: 1382.66 g/mol
• Exact Mass: 1381.44
• IUPAC Name: 2-[4-[6'-[4-[6-dibenzothiophen-3-yl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-4-phenyl-6-pyridin-2-ylpyrimidine
• SMILES: c1ccc(-c2cc(-c3ccccn3)nc(-c3ccc(-c4ccc5c(c4)Oc4cc(-c6ccc(-c7cc(-c8ccc9c(c8)sc8ccccc89)nc(-c8ccc(-c9ccc%10c(c9)Oc9ccccc9C%109c%10ccccc%10-c%10ccccc%109)cc8)n7)cc6)ccc4C54c5ccccc5-c5ccccc54)cc3)n2)cc1
• InChI: InChI=1S/C99H59N5O2S/c1-2-18-63(19-3-1)87-59-89(85-30-16-17-53-100-85)104-97(102-87)66-43-37-62(38-44-66)69-48-52-84-93(56-69)106-92-55-68(47-51-83(92)99(84)79-27-11-6-22-73(79)74-23-7-12-28-80(74)99)60-33-39-64(40-34-60)86-58-88(70-45-49-76-75-24-8-15-32-94(75)107-95(76)57-70)103-96(101-86)65-41-35-61(36-42-65)67-46-50-82-91(54-67)105-90-31-14-13-29-81(90)98(82)77-25-9-4-20-71(77)72-21-5-10-26-78(72)98/h1-59H
• InChIKey: UFUFNYGBSIGDOB-UHFFFAOYSA-N
• XLogP: 24.97
• TPSA: 82.91 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1382.66
LogP ≤ 5	24.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[4-[6'-[4-[6-dibenzothiophen-3-yl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-4-phenyl-6-pyridin-2-ylpyrimidine (CID 146342999) is 2-[4-[6'-[4-[6-dibenzothiophen-3-yl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-4-phenyl-6-pyridin-2-ylpyrimidine.

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

The canonical SMILES for 2-[4-[6'-[4-[6-dibenzothiophen-3-yl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-4-phenyl-6-pyridin-2-ylpyrimidine is c1ccc(-c2cc(-c3ccccn3)nc(-c3ccc(-c4ccc5c(c4)Oc4cc(-c6ccc(-c7cc(-c8ccc9c(c8)sc8ccccc89)nc(-c8ccc(-c9ccc%10c(c9)Oc9ccccc9C%109c%10ccccc%10-c%10ccccc%109)cc8)n7)cc6)ccc4C54c5ccccc5-c5ccccc54)cc3)n2)cc1.

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

The InChIKey is UFUFNYGBSIGDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H59N5O2S/c1-2-18-63(19-3-1)87-59-89(85-30-16-17-53-100-85)104-97(102-87)66-43-37-62(38-44-66)69-48-52-84-93(56-69)106-92-55-68(47-51-83(92)99(84)79-27-11-6-22-73(79)74-23-7-12-28-80(74)99)60-33-39-64(40-34-60)86-58-88(70-45-49-76-75-24-8-15-32-94(75)107-95(76)57-70)103-96(101-86)65-41-35-61(36-42-65)67-46-50-82-91(54-67)105-90-31-14-13-29-81(90)98(82)77-25-9-4-20-71(77)72-21-5-10-26-78(72)98/h1-59H.

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

2-[4-[6'-[4-[6-dibenzothiophen-3-yl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-4-phenyl-6-pyridin-2-ylpyrimidine has a molecular weight of 1382.66 g/mol, XLogP of 24.97, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[6'-[4-[6-dibenzothiophen-3-yl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-4-phenyl-6-pyridin-2-ylpyrimidine is sourced from PubChem (CID 146342999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).