10-[4-[2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)pyrimidin-4-yl]phenyl]phenoxazine

C59H37N3O2 — CID 139306409

IUPAC10-[4-[2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)pyrimidin-4-yl]phenyl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c4C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)cc3)cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)n2)cc1
InChIInChI=1S/C59H37N3O2/c1-2-15-41(16-3-1)58-60-49(37-50(61-58)40-33-35-42(36-34-40)62-51-23-8-12-27-55(51)64-56-28-13-9-24-52(56)62)39-31-29-38(30-32-39)43-18-14-19-45-44-17-4-5-20-46(44)59(57(43)45)47-21-6-10-25-53(47)63-54-26-11-7-22-48(54)59/h1-37H
InChIKeyHJWWVIOLKIDUTM-UHFFFAOYSA-N
MW819.96 g/mol
LogP15.19
Rot. Bonds5

About 10-[4-[2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)pyrimidin-4-yl]phenyl]phenoxazine

10-[4-[2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)pyrimidin-4-yl]phenyl]phenoxazine (PubChem CID 139306409) has the molecular formula C59H37N3O2 and a molecular weight of 819.96 g/mol. Its IUPAC name is 10-[4-[2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)pyrimidin-4-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)pyrimidin-4-yl]phenyl]phenoxazine
PubChem CID139306409
Molecular FormulaC59H37N3O2
Molecular Weight819.96 g/mol
Exact Mass819.29
IUPAC Name10-[4-[2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)pyrimidin-4-yl]phenyl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c4C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)cc3)cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)n2)cc1
InChIInChI=1S/C59H37N3O2/c1-2-15-41(16-3-1)58-60-49(37-50(61-58)40-33-35-42(36-34-40)62-51-23-8-12-27-55(51)64-56-28-13-9-24-52(56)62)39-31-29-38(30-32-39)43-18-14-19-45-44-17-4-5-20-46(44)59(57(43)45)47-21-6-10-25-53(47)63-54-26-11-7-22-48(54)59/h1-37H
InChIKeyHJWWVIOLKIDUTM-UHFFFAOYSA-N
XLogP15.19
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.96
LogP ≤ 515.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-diphenyl-2-(4-spiro[fluorene-9,9'-xanthene]-1'-ylphenyl)pyrimidine
CID 166737824
2-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297786
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine
CID 139306316
4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 137389326
2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379698
10-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine;10-[3-phenoxazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine;10-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine
CID 159209827
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-1'-ylphenyl)-1,3,5-triazine
CID 130379537
2,4-diphenyl-6-[4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 137388381
4-phenyl-6-(3-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379969
10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenoxazine;10-[3-phenoxazin-10-yl-5-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenoxazine;10-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenoxazine;10-[4-(6-phenyl-2-pyridinyl)phenyl]phenoxazine
CID 159777799
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

Frequently Asked Questions

What is the IUPAC name of 10-[4-[2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)pyrimidin-4-yl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)pyrimidin-4-yl]phenyl]phenoxazine (CID 139306409) is 10-[4-[2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)pyrimidin-4-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)pyrimidin-4-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)pyrimidin-4-yl]phenyl]phenoxazine is c1ccc(-c2nc(-c3ccc(-c4cccc5c4C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)cc3)cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)n2)cc1.
What is the InChIKey of 10-[4-[2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)pyrimidin-4-yl]phenyl]phenoxazine?
The InChIKey is HJWWVIOLKIDUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N3O2/c1-2-15-41(16-3-1)58-60-49(37-50(61-58)40-33-35-42(36-34-40)62-51-23-8-12-27-55(51)64-56-28-13-9-24-52(56)62)39-31-29-38(30-32-39)43-18-14-19-45-44-17-4-5-20-46(44)59(57(43)45)47-21-6-10-25-53(47)63-54-26-11-7-22-48(54)59/h1-37H.
What are the key properties of 10-[4-[2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)pyrimidin-4-yl]phenyl]phenoxazine?
10-[4-[2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)pyrimidin-4-yl]phenyl]phenoxazine has a molecular weight of 819.96 g/mol, XLogP of 15.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)pyrimidin-4-yl]phenyl]phenoxazine is sourced from PubChem (CID 139306409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).