1-methyl-2,4-bis(3-phenylphenyl)-6-(2-spiro[1,2-dihydroxanthene-9,9'-fluorene]-3-ylphenyl)-2H-pyrimidine

C60H44N2O — CID 130379166

IUPAC1-methyl-2,4-bis(3-phenylphenyl)-6-(2-spiro[1,2-dihydroxanthene-9,9'-fluorene]-3-ylphenyl)-2H-pyrimidine
SMILESCN1C(c2ccccc2C2=CC3=C(CC2)C2(c4ccccc4O3)c3ccccc3-c3ccccc32)=CC(c2cccc(-c3ccccc3)c2)=NC1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C60H44N2O/c1-62-56(39-55(45-24-16-22-42(36-45)40-18-4-2-5-19-40)61-59(62)46-25-17-23-43(37-46)41-20-6-3-7-21-41)50-29-9-8-26-47(50)44-34-35-54-58(38-44)63-57-33-15-14-32-53(57)60(54)51-30-12-10-27-48(51)49-28-11-13-31-52(49)60/h2-33,36-39,59H,34-35H2,1H3
InChIKeyISIJAPCHILXQAZ-UHFFFAOYSA-N
MW809.03 g/mol
LogP14.33
Rot. Bonds6

About 1-methyl-2,4-bis(3-phenylphenyl)-6-(2-spiro[1,2-dihydroxanthene-9,9'-fluorene]-3-ylphenyl)-2H-pyrimidine

1-methyl-2,4-bis(3-phenylphenyl)-6-(2-spiro[1,2-dihydroxanthene-9,9'-fluorene]-3-ylphenyl)-2H-pyrimidine (PubChem CID 130379166) has the molecular formula C60H44N2O and a molecular weight of 809.03 g/mol. Its IUPAC name is 1-methyl-2,4-bis(3-phenylphenyl)-6-(2-spiro[1,2-dihydroxanthene-9,9'-fluorene]-3-ylphenyl)-2H-pyrimidine.

Molecular Properties

Compound Name1-methyl-2,4-bis(3-phenylphenyl)-6-(2-spiro[1,2-dihydroxanthene-9,9'-fluorene]-3-ylphenyl)-2H-pyrimidine
PubChem CID130379166
Molecular FormulaC60H44N2O
Molecular Weight809.03 g/mol
Exact Mass808.35
IUPAC Name1-methyl-2,4-bis(3-phenylphenyl)-6-(2-spiro[1,2-dihydroxanthene-9,9'-fluorene]-3-ylphenyl)-2H-pyrimidine
SMILESCN1C(c2ccccc2C2=CC3=C(CC2)C2(c4ccccc4O3)c3ccccc3-c3ccccc32)=CC(c2cccc(-c3ccccc3)c2)=NC1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C60H44N2O/c1-62-56(39-55(45-24-16-22-42(36-45)40-18-4-2-5-19-40)61-59(62)46-25-17-23-43(37-46)41-20-6-3-7-21-41)50-29-9-8-26-47(50)44-34-35-54-58(38-44)63-57-33-15-14-32-53(57)60(54)51-30-12-10-27-48(51)49-28-11-13-31-52(49)60/h2-33,36-39,59H,34-35H2,1H3
InChIKeyISIJAPCHILXQAZ-UHFFFAOYSA-N
XLogP14.33
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.03
LogP ≤ 514.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-phenyl-4-(2-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-2H-pyrimidine
CID 130379770
1-methyl-2,4-diphenyl-6-spiro[indeno[1,2-e][1]benzothiole-6,9'-xanthene]-4-yl-2H-pyrimidine
CID 163776793
2-phenyl-4-(3-spiro[1,2-dihydroxanthene-9,9'-fluorene]-3-ylcyclohexa-1,3-dien-1-yl)quinazoline
CID 163484524
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-1'-ylphenyl)-1,3,5-triazine
CID 130379537
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 139521262
2-(5,6-dihydronaphthalen-1-yl)-1-methyl-6-phenyl-4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-2H-1,3,5-triazine
CID 130379106
4,6-diphenyl-2-[3-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,2-dihydropyrimidine
CID 137388504
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 139521184
2-phenyl-4-(3-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 130380047
2-phenyl-4-(3-phenylphenyl)-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine
CID 134571369
2,4-bis(3-phenylcyclohexa-1,5-dien-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 155442756
2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 137388535

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,4-bis(3-phenylphenyl)-6-(2-spiro[1,2-dihydroxanthene-9,9'-fluorene]-3-ylphenyl)-2H-pyrimidine?
The IUPAC name of 1-methyl-2,4-bis(3-phenylphenyl)-6-(2-spiro[1,2-dihydroxanthene-9,9'-fluorene]-3-ylphenyl)-2H-pyrimidine (CID 130379166) is 1-methyl-2,4-bis(3-phenylphenyl)-6-(2-spiro[1,2-dihydroxanthene-9,9'-fluorene]-3-ylphenyl)-2H-pyrimidine.
What is the SMILES notation for 1-methyl-2,4-bis(3-phenylphenyl)-6-(2-spiro[1,2-dihydroxanthene-9,9'-fluorene]-3-ylphenyl)-2H-pyrimidine?
The canonical SMILES for 1-methyl-2,4-bis(3-phenylphenyl)-6-(2-spiro[1,2-dihydroxanthene-9,9'-fluorene]-3-ylphenyl)-2H-pyrimidine is CN1C(c2ccccc2C2=CC3=C(CC2)C2(c4ccccc4O3)c3ccccc3-c3ccccc32)=CC(c2cccc(-c3ccccc3)c2)=NC1c1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-methyl-2,4-bis(3-phenylphenyl)-6-(2-spiro[1,2-dihydroxanthene-9,9'-fluorene]-3-ylphenyl)-2H-pyrimidine?
The InChIKey is ISIJAPCHILXQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N2O/c1-62-56(39-55(45-24-16-22-42(36-45)40-18-4-2-5-19-40)61-59(62)46-25-17-23-43(37-46)41-20-6-3-7-21-41)50-29-9-8-26-47(50)44-34-35-54-58(38-44)63-57-33-15-14-32-53(57)60(54)51-30-12-10-27-48(51)49-28-11-13-31-52(49)60/h2-33,36-39,59H,34-35H2,1H3.
What are the key properties of 1-methyl-2,4-bis(3-phenylphenyl)-6-(2-spiro[1,2-dihydroxanthene-9,9'-fluorene]-3-ylphenyl)-2H-pyrimidine?
1-methyl-2,4-bis(3-phenylphenyl)-6-(2-spiro[1,2-dihydroxanthene-9,9'-fluorene]-3-ylphenyl)-2H-pyrimidine has a molecular weight of 809.03 g/mol, XLogP of 14.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,4-bis(3-phenylphenyl)-6-(2-spiro[1,2-dihydroxanthene-9,9'-fluorene]-3-ylphenyl)-2H-pyrimidine is sourced from PubChem (CID 130379166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).