4-[4-methyl-3-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-2,6-diphenylpyrimidine

C54H36N2O — CID 174328199

IUPAC4-[4-methyl-3-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-2,6-diphenylpyrimidine
SMILESCc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C54H36N2O/c1-35-24-25-41(50-34-49(38-14-4-2-5-15-38)55-53(56-50)39-16-6-3-7-17-39)32-44(35)37-28-26-36(27-29-37)40-30-31-52-48(33-40)54(47-22-12-13-23-51(47)57-52)45-20-10-8-18-42(45)43-19-9-11-21-46(43)54/h2-34H,1H3
InChIKeyCIILKPRWFSLFRU-UHFFFAOYSA-N
MW728.90 g/mol
LogP13.59
Rot. Bonds5

About 4-[4-methyl-3-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-2,6-diphenylpyrimidine

4-[4-methyl-3-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-2,6-diphenylpyrimidine (PubChem CID 174328199) has the molecular formula C54H36N2O and a molecular weight of 728.90 g/mol. Its IUPAC name is 4-[4-methyl-3-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[4-methyl-3-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-2,6-diphenylpyrimidine
PubChem CID174328199
Molecular FormulaC54H36N2O
Molecular Weight728.90 g/mol
Exact Mass728.28
IUPAC Name4-[4-methyl-3-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-2,6-diphenylpyrimidine
SMILESCc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C54H36N2O/c1-35-24-25-41(50-34-49(38-14-4-2-5-15-38)55-53(56-50)39-16-6-3-7-17-39)32-44(35)37-28-26-36(27-29-37)40-30-31-52-48(33-40)54(47-22-12-13-23-51(47)57-52)45-20-10-8-18-42(45)43-19-9-11-21-46(43)54/h2-34H,1H3
InChIKeyCIILKPRWFSLFRU-UHFFFAOYSA-N
XLogP13.59
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.90
LogP ≤ 513.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
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
2-phenyl-4-(3-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379672
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
2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130378933
4,6-diphenyl-2-[2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 137388315
4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947292
2,4-bis(4-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 159156197
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
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine
CID 139306316

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-3-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[4-methyl-3-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-2,6-diphenylpyrimidine (CID 174328199) is 4-[4-methyl-3-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[4-methyl-3-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[4-methyl-3-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-2,6-diphenylpyrimidine is Cc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 4-[4-methyl-3-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-2,6-diphenylpyrimidine?
The InChIKey is CIILKPRWFSLFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2O/c1-35-24-25-41(50-34-49(38-14-4-2-5-15-38)55-53(56-50)39-16-6-3-7-17-39)32-44(35)37-28-26-36(27-29-37)40-30-31-52-48(33-40)54(47-22-12-13-23-51(47)57-52)45-20-10-8-18-42(45)43-19-9-11-21-46(43)54/h2-34H,1H3.
What are the key properties of 4-[4-methyl-3-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-2,6-diphenylpyrimidine?
4-[4-methyl-3-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-2,6-diphenylpyrimidine has a molecular weight of 728.90 g/mol, XLogP of 13.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-3-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 174328199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).