2-phenyl-4-(2-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine

C53H34N2O — CID 137388570

IUPAC2-phenyl-4-(2-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3-c3ccccc3)cc(-c3ccccc3-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C53H34N2O/c1-3-18-35(19-4-1)37-22-7-9-26-41(37)48-34-49(55-52(54-48)36-20-5-2-6-21-36)42-27-10-8-23-38(42)43-28-17-32-47-51(43)56-50-33-16-15-31-46(50)53(47)44-29-13-11-24-39(44)40-25-12-14-30-45(40)53/h1-34H
InChIKeyIADRAXZMDVSAOI-UHFFFAOYSA-N
MW714.87 g/mol
LogP13.28
Rot. Bonds5

About 2-phenyl-4-(2-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine

2-phenyl-4-(2-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine (PubChem CID 137388570) has the molecular formula C53H34N2O and a molecular weight of 714.87 g/mol. Its IUPAC name is 2-phenyl-4-(2-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-(2-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
PubChem CID137388570
Molecular FormulaC53H34N2O
Molecular Weight714.87 g/mol
Exact Mass714.27
IUPAC Name2-phenyl-4-(2-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3-c3ccccc3)cc(-c3ccccc3-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C53H34N2O/c1-3-18-35(19-4-1)37-22-7-9-26-41(37)48-34-49(55-52(54-48)36-20-5-2-6-21-36)42-27-10-8-23-38(42)43-28-17-32-47-51(43)56-50-33-16-15-31-46(50)53(47)44-29-13-11-24-39(44)40-25-12-14-30-45(40)53/h1-34H
InChIKeyIADRAXZMDVSAOI-UHFFFAOYSA-N
XLogP13.28
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 513.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 140947317
2,4-diphenyl-6-[4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 137388381
2,4-bis(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 130378990
4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 137388366
4,6-diphenyl-2-[2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 158213395
2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-2-pyridinyl)pyrimidine
CID 130379985
4,6-bis(4-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 137388368
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine
CID 130379042
2,4-diphenyl-6-[4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 137388725
2-phenyl-5-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)benzonitrile
CID 155767755

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(2-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine?
The IUPAC name of 2-phenyl-4-(2-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine (CID 137388570) is 2-phenyl-4-(2-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine.
What is the SMILES notation for 2-phenyl-4-(2-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine?
The canonical SMILES for 2-phenyl-4-(2-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine is c1ccc(-c2nc(-c3ccccc3-c3ccccc3)cc(-c3ccccc3-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 2-phenyl-4-(2-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine?
The InChIKey is IADRAXZMDVSAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O/c1-3-18-35(19-4-1)37-22-7-9-26-41(37)48-34-49(55-52(54-48)36-20-5-2-6-21-36)42-27-10-8-23-38(42)43-28-17-32-47-51(43)56-50-33-16-15-31-46(50)53(47)44-29-13-11-24-39(44)40-25-12-14-30-45(40)53/h1-34H.
What are the key properties of 2-phenyl-4-(2-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine?
2-phenyl-4-(2-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine has a molecular weight of 714.87 g/mol, XLogP of 13.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(2-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine is sourced from PubChem (CID 137388570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).