10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene]

C47H31N3O — CID 146654706

IUPAC10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene]
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3N3c4ccccc4C4(c5ccccc5Oc5ccccc54)c4ccccc43)n2)cc1
InChIInChI=1S/C47H31N3O/c1-3-17-32(18-4-1)39-31-40(33-19-5-2-6-20-33)49-46(48-39)34-21-7-12-26-41(34)50-42-27-13-8-22-35(42)47(36-23-9-14-28-43(36)50)37-24-10-15-29-44(37)51-45-30-16-11-25-38(45)47/h1-31H
InChIKeyVEFLRKKFHYFVOS-UHFFFAOYSA-N
MW653.79 g/mol
LogP11.75
Rot. Bonds4

About 10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene]

10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene] (PubChem CID 146654706) has the molecular formula C47H31N3O and a molecular weight of 653.79 g/mol. Its IUPAC name is 10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene].

Molecular Properties

Compound Name10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene]
PubChem CID146654706
Molecular FormulaC47H31N3O
Molecular Weight653.79 g/mol
Exact Mass653.25
IUPAC Name10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene]
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3N3c4ccccc4C4(c5ccccc5Oc5ccccc54)c4ccccc43)n2)cc1
InChIInChI=1S/C47H31N3O/c1-3-17-32(18-4-1)39-31-40(33-19-5-2-6-20-33)49-46(48-39)34-21-7-12-26-41(34)50-42-27-13-8-22-35(42)47(36-23-9-14-28-43(36)50)37-24-10-15-29-44(37)51-45-30-16-11-25-38(45)47/h1-31H
InChIKeyVEFLRKKFHYFVOS-UHFFFAOYSA-N
XLogP11.75
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.79
LogP ≤ 511.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene]
CID 146653899
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine
CID 139306316
CID 161378653
CID 161378653
4,6-diphenyl-2-[2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 137388315
2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379698
4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 137388366
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
10-[4-[2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)pyrimidin-4-yl]phenyl]phenoxazine
CID 139306409
2-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297762
4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 137389326
4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947292
10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,7-diphenylspiro[acridine-9,9'-xanthene]
CID 121382487

Frequently Asked Questions

What is the IUPAC name of 10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene]?
The IUPAC name of 10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene] (CID 146654706) is 10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene].
What is the SMILES notation for 10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene]?
The canonical SMILES for 10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene] is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3N3c4ccccc4C4(c5ccccc5Oc5ccccc54)c4ccccc43)n2)cc1.
What is the InChIKey of 10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene]?
The InChIKey is VEFLRKKFHYFVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3O/c1-3-17-32(18-4-1)39-31-40(33-19-5-2-6-20-33)49-46(48-39)34-21-7-12-26-41(34)50-42-27-13-8-22-35(42)47(36-23-9-14-28-43(36)50)37-24-10-15-29-44(37)51-45-30-16-11-25-38(45)47/h1-31H.
What are the key properties of 10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene]?
10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene] has a molecular weight of 653.79 g/mol, XLogP of 11.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene] is sourced from PubChem (CID 146654706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).