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

C87H51N5O2S — CID 167177893

IUPAC2-phenyl-4-[9-[4'-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]dibenzothiophen-3-yl]-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)sc3cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6c(-c7cc(-c8ccccn8)nc(-c8ccccc8)n7)cccc65)c34)cc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C87H51N5O2S/c1-3-23-52(24-4-1)84-89-72(50-73(90-84)60-32-20-40-69-82(60)93-76-43-15-13-37-66(76)86(69)63-34-10-7-27-55(63)56-28-8-11-35-64(56)86)54-46-47-62-79(49-54)95-78-45-22-31-58(81(62)78)57-30-19-39-68-80(57)59-29-9-12-36-65(59)87(68)67-38-14-16-44-77(67)94-83-61(33-21-41-70(83)87)74-51-75(71-42-17-18-48-88-71)92-85(91-74)53-25-5-2-6-26-53/h1-51H
InChIKeyLEFATCKMDGXUAJ-UHFFFAOYSA-N
MW1230.47 g/mol
LogP21.64
Rot. Bonds7

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

2-phenyl-4-[9-[4'-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]dibenzothiophen-3-yl]-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine (PubChem CID 167177893) has the molecular formula C87H51N5O2S and a molecular weight of 1230.47 g/mol. Its IUPAC name is 2-phenyl-4-[9-[4'-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]dibenzothiophen-3-yl]-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine.

Molecular Properties

Compound Name2-phenyl-4-[9-[4'-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]dibenzothiophen-3-yl]-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
PubChem CID167177893
Molecular FormulaC87H51N5O2S
Molecular Weight1230.47 g/mol
Exact Mass1229.38
IUPAC Name2-phenyl-4-[9-[4'-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]dibenzothiophen-3-yl]-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)sc3cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6c(-c7cc(-c8ccccn8)nc(-c8ccccc8)n7)cccc65)c34)cc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C87H51N5O2S/c1-3-23-52(24-4-1)84-89-72(50-73(90-84)60-32-20-40-69-82(60)93-76-43-15-13-37-66(76)86(69)63-34-10-7-27-55(63)56-28-8-11-35-64(56)86)54-46-47-62-79(49-54)95-78-45-22-31-58(81(62)78)57-30-19-39-68-80(57)59-29-9-12-36-65(59)87(68)67-38-14-16-44-77(67)94-83-61(33-21-41-70(83)87)74-51-75(71-42-17-18-48-88-71)92-85(91-74)53-25-5-2-6-26-53/h1-51H
InChIKeyLEFATCKMDGXUAJ-UHFFFAOYSA-N
XLogP21.64
TPSA82.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001230.47
LogP ≤ 521.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-phenyl-4-[9-[4'-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]dibenzothiophen-3-yl]-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine with MolForge

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Related Compounds

4-dibenzothiophen-3-yl-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 137388531
4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;2-phenyl-4-pyridin-2-yl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 158793161
2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 140947317
4-dibenzofuran-3-yl-6-phenyl-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-6-phenyl-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-phenyl-6-pyridin-2-yl-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 159725293
4-phenyl-6-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 137388774
2-dibenzothiophen-3-yl-4-[3-[7'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 155304052
2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 137388535
2,4-bis(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 140947259
2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2-phenyl-4-pyridin-2-yl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 162175843
4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2-dibenzofuran-3-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2-phenyl-4-pyridin-2-yl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 158557851
4-phenyl-6-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 130380006
4-dibenzothiophen-3-yl-6-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenylpyrimidine
CID 146495560

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[9-[4'-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]dibenzothiophen-3-yl]-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine?
The IUPAC name of 2-phenyl-4-[9-[4'-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]dibenzothiophen-3-yl]-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine (CID 167177893) is 2-phenyl-4-[9-[4'-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]dibenzothiophen-3-yl]-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine.
What is the SMILES notation for 2-phenyl-4-[9-[4'-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]dibenzothiophen-3-yl]-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine?
The canonical SMILES for 2-phenyl-4-[9-[4'-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]dibenzothiophen-3-yl]-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine is c1ccc(-c2nc(-c3ccc4c(c3)sc3cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6c(-c7cc(-c8ccccn8)nc(-c8ccccc8)n7)cccc65)c34)cc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 2-phenyl-4-[9-[4'-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]dibenzothiophen-3-yl]-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine?
The InChIKey is LEFATCKMDGXUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H51N5O2S/c1-3-23-52(24-4-1)84-89-72(50-73(90-84)60-32-20-40-69-82(60)93-76-43-15-13-37-66(76)86(69)63-34-10-7-27-55(63)56-28-8-11-35-64(56)86)54-46-47-62-79(49-54)95-78-45-22-31-58(81(62)78)57-30-19-39-68-80(57)59-29-9-12-36-65(59)87(68)67-38-14-16-44-77(67)94-83-61(33-21-41-70(83)87)74-51-75(71-42-17-18-48-88-71)92-85(91-74)53-25-5-2-6-26-53/h1-51H.
What are the key properties of 2-phenyl-4-[9-[4'-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]dibenzothiophen-3-yl]-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine?
2-phenyl-4-[9-[4'-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]dibenzothiophen-3-yl]-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine has a molecular weight of 1230.47 g/mol, XLogP of 21.64, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[9-[4'-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]dibenzothiophen-3-yl]-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine is sourced from PubChem (CID 167177893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).