8-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline

C56H35N3O — CID 146547799

IUPAC8-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4cc(-c6cccc7cccnc67)ccc4-5)cc3)n2)cc1
InChIInChI=1S/C56H35N3O/c1-3-13-37(14-4-1)50-35-51(38-15-5-2-6-16-38)59-55(58-50)40-26-24-36(25-27-40)41-28-30-44-45-31-29-42(43-19-11-17-39-18-12-32-57-54(39)43)34-49(45)56(48(44)33-41)46-20-7-9-22-52(46)60-53-23-10-8-21-47(53)56/h1-35H
InChIKeyDWORRXRHCOJGDF-UHFFFAOYSA-N
MW765.92 g/mol
LogP13.83
Rot. Bonds5

About 8-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline

8-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline (PubChem CID 146547799) has the molecular formula C56H35N3O and a molecular weight of 765.92 g/mol. Its IUPAC name is 8-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline.

Molecular Properties

Compound Name8-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline
PubChem CID146547799
Molecular FormulaC56H35N3O
Molecular Weight765.92 g/mol
Exact Mass765.28
IUPAC Name8-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4cc(-c6cccc7cccnc67)ccc4-5)cc3)n2)cc1
InChIInChI=1S/C56H35N3O/c1-3-13-37(14-4-1)50-35-51(38-15-5-2-6-16-38)59-55(58-50)40-26-24-36(25-27-40)41-28-30-44-45-31-29-42(43-19-11-17-39-18-12-32-57-54(39)43)34-49(45)56(48(44)33-41)46-20-7-9-22-52(46)60-53-23-10-8-21-47(53)56/h1-35H
InChIKeyDWORRXRHCOJGDF-UHFFFAOYSA-N
XLogP13.83
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.92
LogP ≤ 513.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline
CID 164954461
8-[4-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]quinoline
CID 146547263
8-[7'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline
CID 167178042
2-(4-bromophenyl)-4,6-diphenylpyrimidine;8-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline;8-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinoline
CID 164961042
4,6-diphenyl-2-[4-[7-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]pyrimidine
CID 167177967
8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 137388424
7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[indeno[2,1-b]pyridine-9,9'-xanthene]
CID 145412835
8-[7-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-thioxanthene]-2-yl]quinoline
CID 146547163
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
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine
CID 139306316
2-[3-[4-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 163776996
8-[4-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 167359606

Frequently Asked Questions

What is the IUPAC name of 8-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline?
The IUPAC name of 8-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline (CID 146547799) is 8-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline.
What is the SMILES notation for 8-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline?
The canonical SMILES for 8-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4cc(-c6cccc7cccnc67)ccc4-5)cc3)n2)cc1.
What is the InChIKey of 8-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline?
The InChIKey is DWORRXRHCOJGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N3O/c1-3-13-37(14-4-1)50-35-51(38-15-5-2-6-16-38)59-55(58-50)40-26-24-36(25-27-40)41-28-30-44-45-31-29-42(43-19-11-17-39-18-12-32-57-54(39)43)34-49(45)56(48(44)33-41)46-20-7-9-22-52(46)60-53-23-10-8-21-47(53)56/h1-35H.
What are the key properties of 8-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline?
8-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline has a molecular weight of 765.92 g/mol, XLogP of 13.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline is sourced from PubChem (CID 146547799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).