5-[4-[(9R)-7'-(2,6-diphenylpyrimidin-4-yl)spiro[4a,9a-dihydroxanthene-9,9'-fluorene]-2'-yl]phenyl]quinoline

C56H37N3O — CID 146547855

IUPAC5-[4-[(9R)-7'-(2,6-diphenylpyrimidin-4-yl)spiro[4a,9a-dihydroxanthene-9,9'-fluorene]-2'-yl]phenyl]quinoline
SMILESC1=CC2Oc3ccccc3[C@@]3(c4cc(-c5ccc(-c6cccc7ncccc67)cc5)ccc4-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)C2C=C1
InChIInChI=1S/C56H37N3O/c1-3-13-38(14-4-1)51-35-52(59-55(58-51)39-15-5-2-6-16-39)41-29-31-44-43-30-28-40(36-24-26-37(27-25-36)42-17-11-21-50-45(42)18-12-32-57-50)33-48(43)56(49(44)34-41)46-19-7-9-22-53(46)60-54-23-10-8-20-47(54)56/h1-35,46,53H/t46?,53?,56-/m1/s1
InChIKeyWZFYALPSIUGZJY-MWCFTWLOSA-N
MW767.93 g/mol
LogP13.18
Rot. Bonds5

About 5-[4-[(9R)-7'-(2,6-diphenylpyrimidin-4-yl)spiro[4a,9a-dihydroxanthene-9,9'-fluorene]-2'-yl]phenyl]quinoline

5-[4-[(9R)-7'-(2,6-diphenylpyrimidin-4-yl)spiro[4a,9a-dihydroxanthene-9,9'-fluorene]-2'-yl]phenyl]quinoline (PubChem CID 146547855) has the molecular formula C56H37N3O and a molecular weight of 767.93 g/mol. Its IUPAC name is 5-[4-[(9R)-7'-(2,6-diphenylpyrimidin-4-yl)spiro[4a,9a-dihydroxanthene-9,9'-fluorene]-2'-yl]phenyl]quinoline.

Molecular Properties

Compound Name5-[4-[(9R)-7'-(2,6-diphenylpyrimidin-4-yl)spiro[4a,9a-dihydroxanthene-9,9'-fluorene]-2'-yl]phenyl]quinoline
PubChem CID146547855
Molecular FormulaC56H37N3O
Molecular Weight767.93 g/mol
Exact Mass767.29
IUPAC Name5-[4-[(9R)-7'-(2,6-diphenylpyrimidin-4-yl)spiro[4a,9a-dihydroxanthene-9,9'-fluorene]-2'-yl]phenyl]quinoline
SMILESC1=CC2Oc3ccccc3[C@@]3(c4cc(-c5ccc(-c6cccc7ncccc67)cc5)ccc4-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)C2C=C1
InChIInChI=1S/C56H37N3O/c1-3-13-38(14-4-1)51-35-52(59-55(58-51)39-15-5-2-6-16-39)41-29-31-44-43-30-28-40(36-24-26-37(27-25-36)42-17-11-21-50-45(42)18-12-32-57-50)33-48(43)56(49(44)34-41)46-19-7-9-22-53(46)60-54-23-10-8-20-47(54)56/h1-35,46,53H/t46?,53?,56-/m1/s1
InChIKeyWZFYALPSIUGZJY-MWCFTWLOSA-N
XLogP13.18
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.93
LogP ≤ 513.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline;8-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-5-phenylquinoline;8-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinoline;8-[7'-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[4a,9a-dihydroxanthene-9,9'-fluorene]-2'-yl]quinoline;7-[(2E,4Z,6E)-7'-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[1-benzoxecine-8,9'-fluorene]-2'-yl]quinoline
CID 158610385
5-[5'-[6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline
CID 146547267
5-[4-[4-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline
CID 155079173
7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[indeno[2,1-b]pyridine-9,9'-xanthene]
CID 145412835
5-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-3-yl]quinoline
CID 164793254
4-phenanthren-2-yl-6-phenyl-2-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 155442773
4,6-diphenyl-2-[4-(2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 155442583
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline
CID 146547779
8-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline;8-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinoline;8-[7-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinoline;7-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline
CID 158598038
5-[4-[4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenylpyrimidin-2-yl]phenyl]quinoline
CID 155077896
5-[4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenylpyrimidin-2-yl]phenyl]quinoline
CID 155078142
2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947377

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(9R)-7'-(2,6-diphenylpyrimidin-4-yl)spiro[4a,9a-dihydroxanthene-9,9'-fluorene]-2'-yl]phenyl]quinoline?
The IUPAC name of 5-[4-[(9R)-7'-(2,6-diphenylpyrimidin-4-yl)spiro[4a,9a-dihydroxanthene-9,9'-fluorene]-2'-yl]phenyl]quinoline (CID 146547855) is 5-[4-[(9R)-7'-(2,6-diphenylpyrimidin-4-yl)spiro[4a,9a-dihydroxanthene-9,9'-fluorene]-2'-yl]phenyl]quinoline.
What is the SMILES notation for 5-[4-[(9R)-7'-(2,6-diphenylpyrimidin-4-yl)spiro[4a,9a-dihydroxanthene-9,9'-fluorene]-2'-yl]phenyl]quinoline?
The canonical SMILES for 5-[4-[(9R)-7'-(2,6-diphenylpyrimidin-4-yl)spiro[4a,9a-dihydroxanthene-9,9'-fluorene]-2'-yl]phenyl]quinoline is C1=CC2Oc3ccccc3[C@@]3(c4cc(-c5ccc(-c6cccc7ncccc67)cc5)ccc4-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)C2C=C1.
What is the InChIKey of 5-[4-[(9R)-7'-(2,6-diphenylpyrimidin-4-yl)spiro[4a,9a-dihydroxanthene-9,9'-fluorene]-2'-yl]phenyl]quinoline?
The InChIKey is WZFYALPSIUGZJY-MWCFTWLOSA-N. The full InChI is InChI=1S/C56H37N3O/c1-3-13-38(14-4-1)51-35-52(59-55(58-51)39-15-5-2-6-16-39)41-29-31-44-43-30-28-40(36-24-26-37(27-25-36)42-17-11-21-50-45(42)18-12-32-57-50)33-48(43)56(49(44)34-41)46-19-7-9-22-53(46)60-54-23-10-8-20-47(54)56/h1-35,46,53H/t46?,53?,56-/m1/s1.
What are the key properties of 5-[4-[(9R)-7'-(2,6-diphenylpyrimidin-4-yl)spiro[4a,9a-dihydroxanthene-9,9'-fluorene]-2'-yl]phenyl]quinoline?
5-[4-[(9R)-7'-(2,6-diphenylpyrimidin-4-yl)spiro[4a,9a-dihydroxanthene-9,9'-fluorene]-2'-yl]phenyl]quinoline has a molecular weight of 767.93 g/mol, XLogP of 13.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(9R)-7'-(2,6-diphenylpyrimidin-4-yl)spiro[4a,9a-dihydroxanthene-9,9'-fluorene]-2'-yl]phenyl]quinoline is sourced from PubChem (CID 146547855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).