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

C59H37N3O — CID 137388498

IUPAC9-[4-[3-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)cc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C59H37N3O/c1-2-15-39(16-3-1)58-60-52(41-18-14-17-40(35-41)38-29-32-43(33-30-38)62-54-26-11-6-21-46(54)47-22-7-12-27-55(47)62)37-53(61-58)42-31-34-57-51(36-42)59(50-25-10-13-28-56(50)63-57)48-23-8-4-19-44(48)45-20-5-9-24-49(45)59/h1-37H
InChIKeyNQNBIJSKZUZXMM-UHFFFAOYSA-N
MW803.97 g/mol
LogP14.71
Rot. Bonds5

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

9-[4-[3-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]carbazole (PubChem CID 137388498) has the molecular formula C59H37N3O and a molecular weight of 803.97 g/mol. Its IUPAC name is 9-[4-[3-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[3-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]carbazole
PubChem CID137388498
Molecular FormulaC59H37N3O
Molecular Weight803.97 g/mol
Exact Mass803.29
IUPAC Name9-[4-[3-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)cc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C59H37N3O/c1-2-15-39(16-3-1)58-60-52(41-18-14-17-40(35-41)38-29-32-43(33-30-38)62-54-26-11-6-21-46(54)47-22-7-12-27-55(47)62)37-53(61-58)42-31-34-57-51(36-42)59(50-25-10-13-28-56(50)63-57)48-23-8-4-19-44(48)45-20-5-9-24-49(45)59/h1-37H
InChIKeyNQNBIJSKZUZXMM-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

2-phenyl-4-(3-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 130380047
9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 139306362
4-phenyl-6-(3-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379969
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
9-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-2'-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole
CID 166995555
2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130378933
9-[3-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 139306563
2-phenyl-9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 166650803
4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947343
2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947377
2-[4-(3,5-diphenylphenyl)phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;4'-[3-(3-diphenylphosphorylphenyl)phenyl]spiro[fluorene-9,9'-xanthene];9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[4-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 159470462

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[3-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]carbazole (CID 137388498) is 9-[4-[3-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[3-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[3-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]carbazole is c1ccc(-c2nc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)cc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 9-[4-[3-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]carbazole?
The InChIKey is NQNBIJSKZUZXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N3O/c1-2-15-39(16-3-1)58-60-52(41-18-14-17-40(35-41)38-29-32-43(33-30-38)62-54-26-11-6-21-46(54)47-22-7-12-27-55(47)62)37-53(61-58)42-31-34-57-51(36-42)59(50-25-10-13-28-56(50)63-57)48-23-8-4-19-44(48)45-20-5-9-24-49(45)59/h1-37H.
What are the key properties of 9-[4-[3-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]carbazole?
9-[4-[3-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidin-4-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-[4-[3-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 137388498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).