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

C222H138N12O4 — CID 165106906

IUPAC8-[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
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)-c4cc(-c6cccc7cccnc67)ccc4C54c5ccccc5Oc5ccccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)-c3cc(-c5ccc(-c6ccccc6)c6cccnc56)ccc3C43c4ccccc4Oc4ccccc43)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)-c4cc(-c6ccc7cccnc7c6)ccc4C54c5ccccc5Oc5ccccc54)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)-c3cc(-c5cccc6cccnc56)ccc3C43c4ccccc4Oc4ccccc43)cc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/3C56H35N3O.C54H33N3O/c1-4-15-36(16-5-1)41-28-29-42(54-43(41)21-14-32-57-54)39-26-30-46-44(33-39)45-34-40(55-58-50(37-17-6-2-7-18-37)35-51(59-55)38-19-8-3-9-20-38)27-31-47(45)56(46)48-22-10-12-24-52(48)60-53-25-13-11-23-49(53)56;1-3-14-36(15-4-1)50-35-51(59-55(58-50)38-16-5-2-6-17-38)42-20-11-19-39(32-42)40-27-29-46-44(33-40)45-34-41(43-22-12-18-37-21-13-31-57-54(37)43)28-30-47(45)56(46)48-23-7-9-25-52(48)60-53-26-10-8-24-49(53)56;1-3-13-36(14-4-1)39-17-11-18-42(31-39)51-35-52(59-55(58-51)38-15-5-2-6-16-38)43-27-29-47-45(33-43)44-32-40(41-25-24-37-19-12-30-57-50(37)34-41)26-28-46(44)56(47)48-20-7-9-22-53(48)60-54-23-10-8-21-49(54)56;1-2-14-36(15-3-1)53-56-48(33-49(57-53)41-21-10-16-34-13-4-5-19-39(34)41)38-27-29-45-43(32-38)42-31-37(40-20-11-17-35-18-12-30-55-52(35)40)26-28-44(42)54(45)46-22-6-8-24-50(46)58-51-25-9-7-23-47(51)54/h3*1-35H;1-33H
InChIKeyZHICWFLQNRZFFS-UHFFFAOYSA-N
MW3037.63 g/mol
LogP54.80
Rot. Bonds19

About 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

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 (PubChem CID 165106906) has the molecular formula C222H138N12O4 and a molecular weight of 3037.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[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
PubChem CID165106906
Molecular FormulaC222H138N12O4
Molecular Weight3037.63 g/mol
Exact Mass3035.10
IUPAC Name8-[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
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)-c4cc(-c6cccc7cccnc67)ccc4C54c5ccccc5Oc5ccccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)-c3cc(-c5ccc(-c6ccccc6)c6cccnc56)ccc3C43c4ccccc4Oc4ccccc43)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)-c4cc(-c6ccc7cccnc7c6)ccc4C54c5ccccc5Oc5ccccc54)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)-c3cc(-c5cccc6cccnc56)ccc3C43c4ccccc4Oc4ccccc43)cc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/3C56H35N3O.C54H33N3O/c1-4-15-36(16-5-1)41-28-29-42(54-43(41)21-14-32-57-54)39-26-30-46-44(33-39)45-34-40(55-58-50(37-17-6-2-7-18-37)35-51(59-55)38-19-8-3-9-20-38)27-31-47(45)56(46)48-22-10-12-24-52(48)60-53-25-13-11-23-49(53)56;1-3-14-36(15-4-1)50-35-51(59-55(58-50)38-16-5-2-6-17-38)42-20-11-19-39(32-42)40-27-29-46-44(33-40)45-34-41(43-22-12-18-37-21-13-31-57-54(37)43)28-30-47(45)56(46)48-23-7-9-25-52(48)60-53-26-10-8-24-49(53)56;1-3-13-36(14-4-1)39-17-11-18-42(31-39)51-35-52(59-55(58-51)38-15-5-2-6-16-38)43-27-29-47-45(33-43)44-32-40(41-25-24-37-19-12-30-57-50(37)34-41)26-28-46(44)56(47)48-20-7-9-22-53(48)60-54-23-10-8-21-49(54)56;1-2-14-36(15-3-1)53-56-48(33-49(57-53)41-21-10-16-34-13-4-5-19-39(34)41)38-27-29-45-43(32-38)42-31-37(40-20-11-17-35-18-12-30-55-52(35)40)26-28-44(42)54(45)46-22-6-8-24-50(46)58-51-25-9-7-23-47(51)54/h3*1-35H;1-33H
InChIKeyZHICWFLQNRZFFS-UHFFFAOYSA-N
XLogP54.80
TPSA191.60 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms238
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003037.63
LogP ≤ 554.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)-c4cc(-c6cccc7cccnc67)ccc4C54c5ccccc5Oc5ccccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)-c3cc(-c5ccc(-c6ccccc6)c6cccnc56)ccc3C43c4ccccc4Oc4ccccc43)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)-c4cc(-c6ccc7cccnc7c6)ccc4C54c5ccccc5Oc5ccccc54)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)-c3cc(-c5cccc6cccnc56)ccc3C43c4ccccc4Oc4ccccc43)cc(-c3cccc4ccccc34)n2)cc1.
What is the InChIKey of 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?
The InChIKey is ZHICWFLQNRZFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C56H35N3O.C54H33N3O/c1-4-15-36(16-5-1)41-28-29-42(54-43(41)21-14-32-57-54)39-26-30-46-44(33-39)45-34-40(55-58-50(37-17-6-2-7-18-37)35-51(59-55)38-19-8-3-9-20-38)27-31-47(45)56(46)48-22-10-12-24-52(48)60-53-25-13-11-23-49(53)56;1-3-14-36(15-4-1)50-35-51(59-55(58-50)38-16-5-2-6-17-38)42-20-11-19-39(32-42)40-27-29-46-44(33-40)45-34-41(43-22-12-18-37-21-13-31-57-54(37)43)28-30-47(45)56(46)48-23-7-9-25-52(48)60-53-26-10-8-24-49(53)56;1-3-13-36(14-4-1)39-17-11-18-42(31-39)51-35-52(59-55(58-51)38-15-5-2-6-16-38)43-27-29-47-45(33-43)44-32-40(41-25-24-37-19-12-30-57-50(37)34-41)26-28-46(44)56(47)48-20-7-9-22-53(48)60-54-23-10-8-21-49(54)56;1-2-14-36(15-3-1)53-56-48(33-49(57-53)41-21-10-16-34-13-4-5-19-39(34)41)38-27-29-45-43(32-38)42-31-37(40-20-11-17-35-18-12-30-55-52(35)40)26-28-44(42)54(45)46-22-6-8-24-50(46)58-51-25-9-7-23-47(51)54/h3*1-35H;1-33H.
What are the key properties of 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?
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 has a molecular weight of 3037.63 g/mol, XLogP of 54.80, 19 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165106906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).