8-[4-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]quinoline

C56H35N3O — CID 146547263

IUPAC8-[4-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)-c3cc(-c5ccc(-c6cccc7cccnc67)cc5)ccc3C43c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C56H35N3O/c1-3-13-38(14-4-1)50-35-51(39-15-5-2-6-16-39)59-55(58-50)42-29-31-47-45(34-42)44-33-41(36-24-26-37(27-25-36)43-19-11-17-40-18-12-32-57-54(40)43)28-30-46(44)56(47)48-20-7-9-22-52(48)60-53-23-10-8-21-49(53)56/h1-35H
InChIKeyUGZYYDJXTUQFMW-UHFFFAOYSA-N
MW765.92 g/mol
LogP13.83
Rot. Bonds5

About 8-[4-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]quinoline

8-[4-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]quinoline (PubChem CID 146547263) has the molecular formula C56H35N3O and a molecular weight of 765.92 g/mol. Its IUPAC name is 8-[4-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]quinoline.

Molecular Properties

Compound Name8-[4-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]quinoline
PubChem CID146547263
Molecular FormulaC56H35N3O
Molecular Weight765.92 g/mol
Exact Mass765.28
IUPAC Name8-[4-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)-c3cc(-c5ccc(-c6cccc7cccnc67)cc5)ccc3C43c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C56H35N3O/c1-3-13-38(14-4-1)50-35-51(39-15-5-2-6-16-39)59-55(58-50)42-29-31-47-45(34-42)44-33-41(36-24-26-37(27-25-36)43-19-11-17-40-18-12-32-57-54(40)43)28-30-46(44)56(47)48-20-7-9-22-52(48)60-53-23-10-8-21-49(53)56/h1-35H
InChIKeyUGZYYDJXTUQFMW-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-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline
CID 146547799
8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 137388424
8-[7'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline
CID 167178042
8-[6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5-phenylquinoline;8-[6-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;7-[6-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline
CID 165106906
4,6-diphenyl-2-[3-[6-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]pyrimidine
CID 167178504
2-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297762
4-phenyl-6-(2-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 137389330
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
4-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 140947168
4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947292
2-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297722

Frequently Asked Questions

What is the IUPAC name of 8-[4-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]quinoline?
The IUPAC name of 8-[4-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]quinoline (CID 146547263) is 8-[4-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]quinoline.
What is the SMILES notation for 8-[4-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]quinoline?
The canonical SMILES for 8-[4-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]quinoline is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)-c3cc(-c5ccc(-c6cccc7cccnc67)cc5)ccc3C43c4ccccc4Oc4ccccc43)n2)cc1.
What is the InChIKey of 8-[4-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]quinoline?
The InChIKey is UGZYYDJXTUQFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N3O/c1-3-13-38(14-4-1)50-35-51(39-15-5-2-6-16-39)59-55(58-50)42-29-31-47-45(34-42)44-33-41(36-24-26-37(27-25-36)43-19-11-17-40-18-12-32-57-54(40)43)28-30-46(44)56(47)48-20-7-9-22-52(48)60-53-23-10-8-21-49(53)56/h1-35H.
What are the key properties of 8-[4-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]quinoline?
8-[4-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]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-[4-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]quinoline is sourced from PubChem (CID 146547263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).