2,4-diphenyl-6-spiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine

C41H28N2O — CID 137388685

IUPAC2,4-diphenyl-6-spiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine
SMILESC1=CC2=C(CC1)c1ccccc1C21c2ccccc2Oc2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C41H28N2O/c1-3-13-27(14-4-1)36-26-37(43-40(42-36)28-15-5-2-6-16-28)29-23-24-39-35(25-29)41(34-21-11-12-22-38(34)44-39)32-19-9-7-17-30(32)31-18-8-10-20-33(31)41/h1-7,9-17,19-26H,8,18H2
InChIKeyMOSLWGFOICWZBF-UHFFFAOYSA-N
MW564.69 g/mol
LogP10.03
Rot. Bonds3

About 2,4-diphenyl-6-spiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine

2,4-diphenyl-6-spiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine (PubChem CID 137388685) has the molecular formula C41H28N2O and a molecular weight of 564.69 g/mol. Its IUPAC name is 2,4-diphenyl-6-spiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-spiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine
PubChem CID137388685
Molecular FormulaC41H28N2O
Molecular Weight564.69 g/mol
Exact Mass564.22
IUPAC Name2,4-diphenyl-6-spiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine
SMILESC1=CC2=C(CC1)c1ccccc1C21c2ccccc2Oc2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C41H28N2O/c1-3-13-27(14-4-1)36-26-37(43-40(42-36)28-15-5-2-6-16-28)29-23-24-39-35(25-29)41(34-21-11-12-22-38(34)44-39)32-19-9-7-17-30(32)31-18-8-10-20-33(31)41/h1-7,9-17,19-26H,8,18H2
InChIKeyMOSLWGFOICWZBF-UHFFFAOYSA-N
XLogP10.03
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.69
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-cyclohexa-1,3-dien-1-ylphenyl)-6-(3-phenylphenyl)-2-spiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine
CID 137391754
2,4-diphenyl-6-(3-spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389233
2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379698
4-phenyl-6-(3-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379969
2-phenyl-4-(3-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379672
4-phenyl-6-(3-phenylphenyl)-2-[4-[7'-[3-[4-[6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine
CID 155443385
4-(8,9-dihydrodibenzofuran-3-yl)-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 155442470
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine
CID 139306316
2-phenyl-4-(3-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 130380047
4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947343
4,6-diphenyl-2-(4-spiro[fluorene-9,9'-xanthene]-1'-ylphenyl)pyrimidine
CID 166737824
2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130378933

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-spiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine?
The IUPAC name of 2,4-diphenyl-6-spiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine (CID 137388685) is 2,4-diphenyl-6-spiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-spiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine?
The canonical SMILES for 2,4-diphenyl-6-spiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine is C1=CC2=C(CC1)c1ccccc1C21c2ccccc2Oc2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.
What is the InChIKey of 2,4-diphenyl-6-spiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine?
The InChIKey is MOSLWGFOICWZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2O/c1-3-13-27(14-4-1)36-26-37(43-40(42-36)28-15-5-2-6-16-28)29-23-24-39-35(25-29)41(34-21-11-12-22-38(34)44-39)32-19-9-7-17-30(32)31-18-8-10-20-33(31)41/h1-7,9-17,19-26H,8,18H2.
What are the key properties of 2,4-diphenyl-6-spiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine?
2,4-diphenyl-6-spiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine has a molecular weight of 564.69 g/mol, XLogP of 10.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-spiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine is sourced from PubChem (CID 137388685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).