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

C99H59N5O2S — CID 146343155

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

4-dibenzothiophen-3-yl-2-[4-[6'-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine (PubChem CID 146343155) has the molecular formula C99H59N5O2S and a molecular weight of 1382.66 g/mol. Its IUPAC name is 4-dibenzothiophen-3-yl-2-[4-[6'-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine.

Molecular Properties

• Compound Name: 4-dibenzothiophen-3-yl-2-[4-[6'-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
• PubChem CID: 146343155
• Molecular Formula: C99H59N5O2S
• Molecular Weight: 1382.66 g/mol
• Exact Mass: 1381.44
• IUPAC Name: 4-dibenzothiophen-3-yl-2-[4-[6'-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
• SMILES: c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)Oc4cc(-c6ccc(-c7nc(-c8ccc(-c9ccc%10c(c9)Oc9ccccc9C%109c%10ccccc%10-c%10ccccc%109)cc8)cc(-c8ccc9c(c8)sc8ccccc89)n7)cc6)ccc4C54c5ccccc5-c5ccccc54)cc3)cc(-c3ccccn3)n2)cc1
• InChI: InChI=1S/C99H59N5O2S/c1-2-18-65(19-3-1)96-102-87(59-89(104-96)85-30-16-17-53-100-85)64-41-35-61(36-42-64)68-47-51-83-92(55-68)106-93-56-69(48-52-84(93)99(83)79-27-11-6-22-73(79)74-23-7-12-28-80(74)99)62-37-43-66(44-38-62)97-101-86(58-88(103-97)70-45-49-76-75-24-8-15-32-94(75)107-95(76)57-70)63-39-33-60(34-40-63)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: ZDXQANDLIQMFRS-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 4-dibenzothiophen-3-yl-2-[4-[6'-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine?

The IUPAC name of 4-dibenzothiophen-3-yl-2-[4-[6'-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine (CID 146343155) is 4-dibenzothiophen-3-yl-2-[4-[6'-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine.

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

The canonical SMILES for 4-dibenzothiophen-3-yl-2-[4-[6'-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine is c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)Oc4cc(-c6ccc(-c7nc(-c8ccc(-c9ccc%10c(c9)Oc9ccccc9C%109c%10ccccc%10-c%10ccccc%109)cc8)cc(-c8ccc9c(c8)sc8ccccc89)n7)cc6)ccc4C54c5ccccc5-c5ccccc54)cc3)cc(-c3ccccn3)n2)cc1.

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

The InChIKey is ZDXQANDLIQMFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H59N5O2S/c1-2-18-65(19-3-1)96-102-87(59-89(104-96)85-30-16-17-53-100-85)64-41-35-61(36-42-64)68-47-51-83-92(55-68)106-93-56-69(48-52-84(93)99(83)79-27-11-6-22-73(79)74-23-7-12-28-80(74)99)62-37-43-66(44-38-62)97-101-86(58-88(103-97)70-45-49-76-75-24-8-15-32-94(75)107-95(76)57-70)63-39-33-60(34-40-63)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 4-dibenzothiophen-3-yl-2-[4-[6'-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine?

4-dibenzothiophen-3-yl-2-[4-[6'-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine 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 4-dibenzothiophen-3-yl-2-[4-[6'-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine is sourced from PubChem (CID 146343155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).