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

C60H42N2O — CID 130379770

IUPAC1-methyl-2-phenyl-4-(2-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-2H-pyrimidine
SMILESCN1C(c2cccc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)c3)c2)=CC(c2ccccc2-c2ccccc2)=NC1c1ccccc1
InChIInChI=1S/C60H42N2O/c1-62-56(39-55(61-59(62)41-20-6-3-7-21-41)50-29-9-8-26-47(50)40-18-4-2-5-19-40)46-25-17-24-44(37-46)42-22-16-23-43(36-42)45-34-35-58-54(38-45)60(53-32-14-15-33-57(53)63-58)51-30-12-10-27-48(51)49-28-11-13-31-52(49)60/h2-39,59H,1H3
InChIKeyCIFKKQQDSUGZTC-UHFFFAOYSA-N
MW807.01 g/mol
LogP14.63
Rot. Bonds6

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

1-methyl-2-phenyl-4-(2-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-2H-pyrimidine (PubChem CID 130379770) has the molecular formula C60H42N2O and a molecular weight of 807.01 g/mol. Its IUPAC name is 1-methyl-2-phenyl-4-(2-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-2H-pyrimidine.

Molecular Properties

Compound Name1-methyl-2-phenyl-4-(2-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-2H-pyrimidine
PubChem CID130379770
Molecular FormulaC60H42N2O
Molecular Weight807.01 g/mol
Exact Mass806.33
IUPAC Name1-methyl-2-phenyl-4-(2-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-2H-pyrimidine
SMILESCN1C(c2cccc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)c3)c2)=CC(c2ccccc2-c2ccccc2)=NC1c1ccccc1
InChIInChI=1S/C60H42N2O/c1-62-56(39-55(61-59(62)41-20-6-3-7-21-41)50-29-9-8-26-47(50)40-18-4-2-5-19-40)46-25-17-24-44(37-46)42-22-16-23-43(36-42)45-34-35-58-54(38-45)60(53-32-14-15-33-57(53)63-58)51-30-12-10-27-48(51)49-28-11-13-31-52(49)60/h2-39,59H,1H3
InChIKeyCIFKKQQDSUGZTC-UHFFFAOYSA-N
XLogP14.63
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.01
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-(4-phenylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 139521184
1-methyl-2,4-bis(3-phenylphenyl)-6-(2-spiro[1,2-dihydroxanthene-9,9'-fluorene]-3-ylphenyl)-2H-pyrimidine
CID 130379166
2-phenyl-4-(3-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 130380047
2,4-diphenyl-6-[2-[2-[7'-[3-[4-phenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]phenyl]-1,3,5-triazine
CID 146343033
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-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
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
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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenyl-4-(2-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-2H-pyrimidine?
The IUPAC name of 1-methyl-2-phenyl-4-(2-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-2H-pyrimidine (CID 130379770) is 1-methyl-2-phenyl-4-(2-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-2H-pyrimidine.
What is the SMILES notation for 1-methyl-2-phenyl-4-(2-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-2H-pyrimidine?
The canonical SMILES for 1-methyl-2-phenyl-4-(2-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-2H-pyrimidine is CN1C(c2cccc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)c3)c2)=CC(c2ccccc2-c2ccccc2)=NC1c1ccccc1.
What is the InChIKey of 1-methyl-2-phenyl-4-(2-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-2H-pyrimidine?
The InChIKey is CIFKKQQDSUGZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2O/c1-62-56(39-55(61-59(62)41-20-6-3-7-21-41)50-29-9-8-26-47(50)40-18-4-2-5-19-40)46-25-17-24-44(37-46)42-22-16-23-43(36-42)45-34-35-58-54(38-45)60(53-32-14-15-33-57(53)63-58)51-30-12-10-27-48(51)49-28-11-13-31-52(49)60/h2-39,59H,1H3.
What are the key properties of 1-methyl-2-phenyl-4-(2-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-2H-pyrimidine?
1-methyl-2-phenyl-4-(2-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-2H-pyrimidine has a molecular weight of 807.01 g/mol, XLogP of 14.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenyl-4-(2-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-2H-pyrimidine is sourced from PubChem (CID 130379770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).