4,6-diphenyl-2-[4-(2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine

C53H36N2O — CID 155442583

IUPAC4,6-diphenyl-2-[4-(2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
SMILESC1=CC2c3ccccc3C3(c4ccccc4Oc4c(-c5ccccc5-c5ccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cc5)cccc43)C2C=C1
InChIInChI=1S/C53H36N2O/c1-3-16-36(17-4-1)48-34-49(37-18-5-2-6-19-37)55-52(54-48)38-32-30-35(31-33-38)39-20-7-8-21-40(39)43-24-15-28-47-51(43)56-50-29-14-13-27-46(50)53(47)44-25-11-9-22-41(44)42-23-10-12-26-45(42)53/h1-34,41,44H
InChIKeyMNAPQFDMTVAJRV-UHFFFAOYSA-N
MW716.88 g/mol
LogP13.09
Rot. Bonds5

About 4,6-diphenyl-2-[4-(2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine

4,6-diphenyl-2-[4-(2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine (PubChem CID 155442583) has the molecular formula C53H36N2O and a molecular weight of 716.88 g/mol. Its IUPAC name is 4,6-diphenyl-2-[4-(2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4,6-diphenyl-2-[4-(2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
PubChem CID155442583
Molecular FormulaC53H36N2O
Molecular Weight716.88 g/mol
Exact Mass716.28
IUPAC Name4,6-diphenyl-2-[4-(2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
SMILESC1=CC2c3ccccc3C3(c4ccccc4Oc4c(-c5ccccc5-c5ccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cc5)cccc43)C2C=C1
InChIInChI=1S/C53H36N2O/c1-3-16-36(17-4-1)48-34-49(37-18-5-2-6-19-37)55-52(54-48)38-32-30-35(31-33-38)39-20-7-8-21-40(39)43-24-15-28-47-51(43)56-50-29-14-13-27-46(50)53(47)44-25-11-9-22-41(44)42-23-10-12-26-45(42)53/h1-34,41,44H
InChIKeyMNAPQFDMTVAJRV-UHFFFAOYSA-N
XLogP13.09
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.88
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenanthren-2-yl-6-phenyl-2-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 155442773
2-phenyl-4-(2-phenylphenyl)-6-[4-[4-[3-[2-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine
CID 155443124
4,6-diphenyl-2-(5-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylthiophen-2-yl)pyrimidine
CID 155442435
4-phenanthren-2-yl-6-phenyl-2-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 155443455
2,4-diphenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 155442764
2-dibenzofuran-3-yl-4-phenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine
CID 155442926
4-naphthalen-2-yl-6-phenyl-2-[4-[3-[4-(6-phenyl-2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]pyrimidine
CID 155443305
2-phenyl-4-pyridin-2-yl-6-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine
CID 155443428
2-phenanthren-2-yl-4-phenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 155442762
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 155443037
2,4-diphenyl-6-(7-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yldibenzofuran-3-yl)-1,3,5-triazine
CID 166953099
2,4-diphenyl-6-(3-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 174292900

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-[4-(2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine?
The IUPAC name of 4,6-diphenyl-2-[4-(2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine (CID 155442583) is 4,6-diphenyl-2-[4-(2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine.
What is the SMILES notation for 4,6-diphenyl-2-[4-(2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine?
The canonical SMILES for 4,6-diphenyl-2-[4-(2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine is C1=CC2c3ccccc3C3(c4ccccc4Oc4c(-c5ccccc5-c5ccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cc5)cccc43)C2C=C1.
What is the InChIKey of 4,6-diphenyl-2-[4-(2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine?
The InChIKey is MNAPQFDMTVAJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N2O/c1-3-16-36(17-4-1)48-34-49(37-18-5-2-6-19-37)55-52(54-48)38-32-30-35(31-33-38)39-20-7-8-21-40(39)43-24-15-28-47-51(43)56-50-29-14-13-27-46(50)53(47)44-25-11-9-22-41(44)42-23-10-12-26-45(42)53/h1-34,41,44H.
What are the key properties of 4,6-diphenyl-2-[4-(2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine?
4,6-diphenyl-2-[4-(2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine has a molecular weight of 716.88 g/mol, XLogP of 13.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-[4-(2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine is sourced from PubChem (CID 155442583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).