8-[5'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;7-[5'-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline

C166H103N9O3 — CID 164999881

IUPAC8-[5'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;7-[5'-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4Oc4c(-c6cccc7cccnc67)cccc4C54c5ccccc5-c5ccccc54)c3)n2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4cccc5c4Oc4c(-c6ccc7cccnc7c6)cccc4C54c5ccccc5-c5ccccc54)n3)c2)cc1.c1ccc(-c2nc(-c3cccc4c3Oc3c(-c5cccc6cccnc56)cccc3C43c4ccccc4-c4ccccc43)cc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/2C56H35N3O.C54H33N3O/c1-3-16-36(17-4-1)50-35-51(37-18-5-2-6-19-37)59-55(58-50)40-22-11-21-39(34-40)41-26-13-31-48-53(41)60-54-45(44-27-12-20-38-23-15-33-57-52(38)44)28-14-32-49(54)56(48)46-29-9-7-24-42(46)43-25-8-10-30-47(43)56;1-3-15-36(16-4-1)39-19-11-20-41(33-39)55-58-51(37-17-5-2-6-18-37)35-52(59-55)45-25-13-29-49-54(45)60-53-42(40-31-30-38-21-14-32-57-50(38)34-40)24-12-28-48(53)56(49)46-26-9-7-22-43(46)44-23-8-10-27-47(44)56;1-2-16-36(17-3-1)53-56-48(40-24-10-18-34-15-4-5-21-37(34)40)33-49(57-53)43-27-13-31-47-52(43)58-51-42(41-25-11-19-35-20-14-32-55-50(35)41)26-12-30-46(51)54(47)44-28-8-6-22-38(44)39-23-7-9-29-45(39)54/h2*1-35H;1-33H
InChIKeyICCORWGLHFWSJP-UHFFFAOYSA-N
MW2271.71 g/mol
LogP40.97
Rot. Bonds14

About 8-[5'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;7-[5'-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline

8-[5'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;7-[5'-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline (PubChem CID 164999881) has the molecular formula C166H103N9O3 and a molecular weight of 2271.71 g/mol. Its IUPAC name is 8-[5'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;7-[5'-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline.

Molecular Properties

Compound Name8-[5'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;7-[5'-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline
PubChem CID164999881
Molecular FormulaC166H103N9O3
Molecular Weight2271.71 g/mol
Exact Mass2269.82
IUPAC Name8-[5'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;7-[5'-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4Oc4c(-c6cccc7cccnc67)cccc4C54c5ccccc5-c5ccccc54)c3)n2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4cccc5c4Oc4c(-c6ccc7cccnc7c6)cccc4C54c5ccccc5-c5ccccc54)n3)c2)cc1.c1ccc(-c2nc(-c3cccc4c3Oc3c(-c5cccc6cccnc56)cccc3C43c4ccccc4-c4ccccc43)cc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/2C56H35N3O.C54H33N3O/c1-3-16-36(17-4-1)50-35-51(37-18-5-2-6-19-37)59-55(58-50)40-22-11-21-39(34-40)41-26-13-31-48-53(41)60-54-45(44-27-12-20-38-23-15-33-57-52(38)44)28-14-32-49(54)56(48)46-29-9-7-24-42(46)43-25-8-10-30-47(43)56;1-3-15-36(16-4-1)39-19-11-20-41(33-39)55-58-51(37-17-5-2-6-18-37)35-52(59-55)45-25-13-29-49-54(45)60-53-42(40-31-30-38-21-14-32-57-50(38)34-40)24-12-28-48(53)56(49)46-26-9-7-22-43(46)44-23-8-10-27-47(44)56;1-2-16-36(17-3-1)53-56-48(40-24-10-18-34-15-4-5-21-37(34)40)33-49(57-53)43-27-13-31-47-52(43)58-51-42(41-25-11-19-35-20-14-32-55-50(35)41)26-12-30-46(51)54(47)44-28-8-6-22-38(44)39-23-7-9-29-45(39)54/h2*1-35H;1-33H
InChIKeyICCORWGLHFWSJP-UHFFFAOYSA-N
XLogP40.97
TPSA143.70 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms178
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002271.71
LogP ≤ 540.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 8-[5'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;7-[5'-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[5'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;7-[5'-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline?
The IUPAC name of 8-[5'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;7-[5'-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline (CID 164999881) is 8-[5'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;7-[5'-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline.
What is the SMILES notation for 8-[5'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;7-[5'-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline?
The canonical SMILES for 8-[5'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;7-[5'-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4Oc4c(-c6cccc7cccnc67)cccc4C54c5ccccc5-c5ccccc54)c3)n2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4cccc5c4Oc4c(-c6ccc7cccnc7c6)cccc4C54c5ccccc5-c5ccccc54)n3)c2)cc1.c1ccc(-c2nc(-c3cccc4c3Oc3c(-c5cccc6cccnc56)cccc3C43c4ccccc4-c4ccccc43)cc(-c3cccc4ccccc34)n2)cc1.
What is the InChIKey of 8-[5'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;7-[5'-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline?
The InChIKey is ICCORWGLHFWSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C56H35N3O.C54H33N3O/c1-3-16-36(17-4-1)50-35-51(37-18-5-2-6-19-37)59-55(58-50)40-22-11-21-39(34-40)41-26-13-31-48-53(41)60-54-45(44-27-12-20-38-23-15-33-57-52(38)44)28-14-32-49(54)56(48)46-29-9-7-24-42(46)43-25-8-10-30-47(43)56;1-3-15-36(16-4-1)39-19-11-20-41(33-39)55-58-51(37-17-5-2-6-18-37)35-52(59-55)45-25-13-29-49-54(45)60-53-42(40-31-30-38-21-14-32-57-50(38)34-40)24-12-28-48(53)56(49)46-26-9-7-22-43(46)44-23-8-10-27-47(44)56;1-2-16-36(17-3-1)53-56-48(40-24-10-18-34-15-4-5-21-37(34)40)33-49(57-53)43-27-13-31-47-52(43)58-51-42(41-25-11-19-35-20-14-32-55-50(35)41)26-12-30-46(51)54(47)44-28-8-6-22-38(44)39-23-7-9-29-45(39)54/h2*1-35H;1-33H.
What are the key properties of 8-[5'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;7-[5'-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline?
8-[5'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;7-[5'-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline has a molecular weight of 2271.71 g/mol, XLogP of 40.97, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;7-[5'-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline is sourced from PubChem (CID 164999881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).