2-[4-[2-(2,6-diphenylpyrimidin-4-yl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-4-pyridinyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4,6-diphenylpyrimidine

C87H53N5O2 — CID 166734087

IUPAC2-[4-[2-(2,6-diphenylpyrimidin-4-yl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-4-pyridinyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4c(-c5cc(-c6ccc7c(c6)Oc6ccccc6C76c7ccccc7-c7ccccc76)nc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cccc43)n2)cc1
InChIInChI=1S/C87H53N5O2/c1-5-24-54(25-6-1)74-52-75(55-26-7-2-8-27-55)91-85(90-74)59-45-47-71-82(51-59)94-80-43-22-20-40-69(80)87(71)67-38-18-15-34-64(67)83-61(35-23-41-72(83)87)60-48-73(88-77(49-60)78-53-76(56-28-9-3-10-29-56)89-84(92-78)57-30-11-4-12-31-57)58-44-46-70-81(50-58)93-79-42-21-19-39-68(79)86(70)65-36-16-13-32-62(65)63-33-14-17-37-66(63)86/h1-53H
InChIKeyMPBOGBJJUNJDIB-UHFFFAOYSA-N
MW1200.41 g/mol
LogP20.94
Rot. Bonds8

About 2-[4-[2-(2,6-diphenylpyrimidin-4-yl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-4-pyridinyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4,6-diphenylpyrimidine

2-[4-[2-(2,6-diphenylpyrimidin-4-yl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-4-pyridinyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4,6-diphenylpyrimidine (PubChem CID 166734087) has the molecular formula C87H53N5O2 and a molecular weight of 1200.41 g/mol. Its IUPAC name is 2-[4-[2-(2,6-diphenylpyrimidin-4-yl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-4-pyridinyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-[4-[2-(2,6-diphenylpyrimidin-4-yl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-4-pyridinyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4,6-diphenylpyrimidine
PubChem CID166734087
Molecular FormulaC87H53N5O2
Molecular Weight1200.41 g/mol
Exact Mass1199.42
IUPAC Name2-[4-[2-(2,6-diphenylpyrimidin-4-yl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-4-pyridinyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4c(-c5cc(-c6ccc7c(c6)Oc6ccccc6C76c7ccccc7-c7ccccc76)nc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cccc43)n2)cc1
InChIInChI=1S/C87H53N5O2/c1-5-24-54(25-6-1)74-52-75(55-26-7-2-8-27-55)91-85(90-74)59-45-47-71-82(51-59)94-80-43-22-20-40-69(80)87(71)67-38-18-15-34-64(67)83-61(35-23-41-72(83)87)60-48-73(88-77(49-60)78-53-76(56-28-9-3-10-29-56)89-84(92-78)57-30-11-4-12-31-57)58-44-46-70-81(50-58)93-79-42-21-19-39-68(79)86(70)65-36-16-13-32-62(65)63-33-14-17-37-66(63)86/h1-53H
InChIKeyMPBOGBJJUNJDIB-UHFFFAOYSA-N
XLogP20.94
TPSA82.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001200.41
LogP ≤ 520.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[2-(2,6-diphenylpyrimidin-4-yl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-4-pyridinyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4,6-diphenylpyrimidine with MolForge

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Related Compounds

4-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 140947168
4-phenyl-6-(4-phenylphenyl)-2-[4-[6'-[4-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine
CID 155305190
4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 137389326
4-phenyl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine
CID 137388581
2-[3-[6'-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-4-phenyl-6-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine
CID 166650929
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine
CID 139306316
4,6-bis(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-phenyl-6-(2-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 157164289
4-[4-[3-[2-[3-[6'-cyano-4-[3-[4-[6-[3-(6'-cyanospiro[fluorene-9,9'-xanthene]-3'-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]phenyl]-6'-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-carbonitrile
CID 163794326
4-phenyl-6-(2-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 137389330
4-phenyl-2-(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine
CID 146661051
2-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297722
4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389240

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,6-diphenylpyrimidin-4-yl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-4-pyridinyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4,6-diphenylpyrimidine?
The IUPAC name of 2-[4-[2-(2,6-diphenylpyrimidin-4-yl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-4-pyridinyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4,6-diphenylpyrimidine (CID 166734087) is 2-[4-[2-(2,6-diphenylpyrimidin-4-yl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-4-pyridinyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-[4-[2-(2,6-diphenylpyrimidin-4-yl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-4-pyridinyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4,6-diphenylpyrimidine?
The canonical SMILES for 2-[4-[2-(2,6-diphenylpyrimidin-4-yl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-4-pyridinyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4,6-diphenylpyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4c(-c5cc(-c6ccc7c(c6)Oc6ccccc6C76c7ccccc7-c7ccccc76)nc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cccc43)n2)cc1.
What is the InChIKey of 2-[4-[2-(2,6-diphenylpyrimidin-4-yl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-4-pyridinyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4,6-diphenylpyrimidine?
The InChIKey is MPBOGBJJUNJDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H53N5O2/c1-5-24-54(25-6-1)74-52-75(55-26-7-2-8-27-55)91-85(90-74)59-45-47-71-82(51-59)94-80-43-22-20-40-69(80)87(71)67-38-18-15-34-64(67)83-61(35-23-41-72(83)87)60-48-73(88-77(49-60)78-53-76(56-28-9-3-10-29-56)89-84(92-78)57-30-11-4-12-31-57)58-44-46-70-81(50-58)93-79-42-21-19-39-68(79)86(70)65-36-16-13-32-62(65)63-33-14-17-37-66(63)86/h1-53H.
What are the key properties of 2-[4-[2-(2,6-diphenylpyrimidin-4-yl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-4-pyridinyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4,6-diphenylpyrimidine?
2-[4-[2-(2,6-diphenylpyrimidin-4-yl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-4-pyridinyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4,6-diphenylpyrimidine has a molecular weight of 1200.41 g/mol, XLogP of 20.94, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,6-diphenylpyrimidin-4-yl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-4-pyridinyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 166734087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).