9-[3-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-2-yl)phenyl]phenyl]carbazole

C59H37N3O — CID 139306563

IUPAC9-[3-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-2-yl)phenyl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3cccc4c3C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)nc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)n2)cc1
InChIInChI=1S/C59H37N3O/c1-2-16-39(17-3-1)51-37-52(47-24-15-23-46-43-20-4-7-25-48(43)59(57(46)47)49-26-8-12-30-55(49)63-56-31-13-9-27-50(56)59)61-58(60-51)40-34-32-38(33-35-40)41-18-14-19-42(36-41)62-53-28-10-5-21-44(53)45-22-6-11-29-54(45)62/h1-37H
InChIKeyKOEVDANFZLHAIZ-UHFFFAOYSA-N
MW803.97 g/mol
LogP14.71
Rot. Bonds5

About 9-[3-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-2-yl)phenyl]phenyl]carbazole

9-[3-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-2-yl)phenyl]phenyl]carbazole (PubChem CID 139306563) has the molecular formula C59H37N3O and a molecular weight of 803.97 g/mol. Its IUPAC name is 9-[3-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-2-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-2-yl)phenyl]phenyl]carbazole
PubChem CID139306563
Molecular FormulaC59H37N3O
Molecular Weight803.97 g/mol
Exact Mass803.29
IUPAC Name9-[3-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-2-yl)phenyl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3cccc4c3C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)nc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)n2)cc1
InChIInChI=1S/C59H37N3O/c1-2-16-39(17-3-1)51-37-52(47-24-15-23-46-43-20-4-7-25-48(43)59(57(46)47)49-26-8-12-30-55(49)63-56-31-13-9-27-50(56)59)61-58(60-51)40-34-32-38(33-35-40)41-18-14-19-42(36-41)62-53-28-10-5-21-44(53)45-22-6-11-29-54(45)62/h1-37H
InChIKeyKOEVDANFZLHAIZ-UHFFFAOYSA-N
XLogP14.71
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.97
LogP ≤ 514.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-[4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-1-yl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl)phenyl]carbazole;9-[4-(6-phenyl-2-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl)phenyl]carbazole;9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(2-spiro[fluorene-9,9'-xanthene]-1-ylquinazolin-4-yl)phenyl]carbazole;9-[4-(4-spiro[fluorene-9,9'-xanthene]-1-ylquinazolin-2-yl)phenyl]carbazole
CID 159620687
9-[4-[3-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 137388498
3-[1-[2-(4-carbazol-9-ylphenyl)quinazolin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl)phenyl]carbazole
CID 166650958
9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 139306362
9-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 154624198
9-[3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 144649974
2-phenyl-9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 166650803
2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379698
9-[3-(4-phenyl-6-spiro[benzo[c]xanthene-7,9'-fluorene]-4'-ylpyrimidin-2-yl)phenyl]carbazole
CID 139307474
9-[3-[4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole
CID 130452824
10-[4-[2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)pyrimidin-4-yl]phenyl]phenoxazine
CID 139306409
4-phenyl-6-(3-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379969

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-2-yl)phenyl]phenyl]carbazole?
The IUPAC name of 9-[3-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-2-yl)phenyl]phenyl]carbazole (CID 139306563) is 9-[3-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-2-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-2-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-[3-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-2-yl)phenyl]phenyl]carbazole is c1ccc(-c2cc(-c3cccc4c3C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)nc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)n2)cc1.
What is the InChIKey of 9-[3-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-2-yl)phenyl]phenyl]carbazole?
The InChIKey is KOEVDANFZLHAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N3O/c1-2-16-39(17-3-1)51-37-52(47-24-15-23-46-43-20-4-7-25-48(43)59(57(46)47)49-26-8-12-30-55(49)63-56-31-13-9-27-50(56)59)61-58(60-51)40-34-32-38(33-35-40)41-18-14-19-42(36-41)62-53-28-10-5-21-44(53)45-22-6-11-29-54(45)62/h1-37H.
What are the key properties of 9-[3-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-2-yl)phenyl]phenyl]carbazole?
9-[3-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-2-yl)phenyl]phenyl]carbazole has a molecular weight of 803.97 g/mol, XLogP of 14.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-2-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 139306563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).