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

C166H105N9O3 — CID 160567121

IUPAC8-[5'-[4-(7,8-dihydronaphthalen-1-yl)-6-phenylpyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-phenylquinoline;7-[5'-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline
SMILESC1=Cc2cccc(-c3cc(-c4ccccc4)nc(-c4cccc5c4Oc4c(-c6cccc7cccnc67)cccc4C54c5ccccc5-c5ccccc54)n3)c2CC1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3Oc3c(-c5cccc6c(-c7ccccc7)ccnc56)cccc3C43c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4cccc5c4Oc4c(-c6ccc7cccnc7c6)cccc4C54c5ccccc5-c5ccccc54)n3)c2)cc1
InChIInChI=1S/2C56H35N3O.C54H35N3O/c1-4-17-36(18-5-1)39-33-34-57-52-42(39)25-14-26-43(52)44-27-15-31-48-53(44)60-54-45(55-58-50(37-19-6-2-7-20-37)35-51(59-55)38-21-8-3-9-22-38)28-16-32-49(54)56(48)46-29-12-10-23-40(46)41-24-11-13-30-47(41)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;1-2-16-35(17-3-1)48-33-49(40-24-10-18-34-15-4-5-21-37(34)40)57-53(56-48)43-27-13-31-47-52(43)58-51-42(41-25-11-19-36-20-14-32-55-50(36)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;1-4,6-20,22-33H,5,21H2
InChIKeyRABKUCCVMCKIMF-UHFFFAOYSA-N
MW2273.73 g/mol
LogP40.78
Rot. Bonds14

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

8-[5'-[4-(7,8-dihydronaphthalen-1-yl)-6-phenylpyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-phenylquinoline;7-[5'-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline (PubChem CID 160567121) has the molecular formula C166H105N9O3 and a molecular weight of 2273.73 g/mol. Its IUPAC name is 8-[5'-[4-(7,8-dihydronaphthalen-1-yl)-6-phenylpyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-phenylquinoline;7-[5'-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline.

Molecular Properties

Compound Name8-[5'-[4-(7,8-dihydronaphthalen-1-yl)-6-phenylpyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-phenylquinoline;7-[5'-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline
PubChem CID160567121
Molecular FormulaC166H105N9O3
Molecular Weight2273.73 g/mol
Exact Mass2271.83
IUPAC Name8-[5'-[4-(7,8-dihydronaphthalen-1-yl)-6-phenylpyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-phenylquinoline;7-[5'-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline
SMILESC1=Cc2cccc(-c3cc(-c4ccccc4)nc(-c4cccc5c4Oc4c(-c6cccc7cccnc67)cccc4C54c5ccccc5-c5ccccc54)n3)c2CC1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3Oc3c(-c5cccc6c(-c7ccccc7)ccnc56)cccc3C43c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4cccc5c4Oc4c(-c6ccc7cccnc7c6)cccc4C54c5ccccc5-c5ccccc54)n3)c2)cc1
InChIInChI=1S/2C56H35N3O.C54H35N3O/c1-4-17-36(18-5-1)39-33-34-57-52-42(39)25-14-26-43(52)44-27-15-31-48-53(44)60-54-45(55-58-50(37-19-6-2-7-20-37)35-51(59-55)38-21-8-3-9-22-38)28-16-32-49(54)56(48)46-29-12-10-23-40(46)41-24-11-13-30-47(41)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;1-2-16-35(17-3-1)48-33-49(40-24-10-18-34-15-4-5-21-37(34)40)57-53(56-48)43-27-13-31-47-52(43)58-51-42(41-25-11-19-36-20-14-32-55-50(36)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;1-4,6-20,22-33H,5,21H2
InChIKeyRABKUCCVMCKIMF-UHFFFAOYSA-N
XLogP40.78
TPSA143.70 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002273.73
LogP ≤ 540.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

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Related Compounds

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
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
8-[7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]quinoline;8-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]-5-phenylquinoline;8-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]quinoline;7-[7'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]quinoline;8-[7'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]quinoline
CID 164957175
8-[5'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-phenylquinoline;8-[5'-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-4a,8a-dihydroquinoline
CID 164981172
8-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-3'-yl]quinoline;8-[6'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-3'-yl]-5-phenylquinoline;8-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-3'-yl]quinoline;7-[6'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-thioxanthene]-3'-yl]quinoline
CID 164957580
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-[5'-[6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline
CID 146547267
8-[5'-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline
CID 146547203
8-[5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline
CID 146547205
8-[4-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 167359606
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
8-[4-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]quinoline
CID 146547263

Frequently Asked Questions

What is the IUPAC name of 8-[5'-[4-(7,8-dihydronaphthalen-1-yl)-6-phenylpyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-phenylquinoline;7-[5'-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline?
The IUPAC name of 8-[5'-[4-(7,8-dihydronaphthalen-1-yl)-6-phenylpyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-phenylquinoline;7-[5'-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline (CID 160567121) is 8-[5'-[4-(7,8-dihydronaphthalen-1-yl)-6-phenylpyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-phenylquinoline;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'-[4-(7,8-dihydronaphthalen-1-yl)-6-phenylpyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-phenylquinoline;7-[5'-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline?
The canonical SMILES for 8-[5'-[4-(7,8-dihydronaphthalen-1-yl)-6-phenylpyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-phenylquinoline;7-[5'-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline is C1=Cc2cccc(-c3cc(-c4ccccc4)nc(-c4cccc5c4Oc4c(-c6cccc7cccnc67)cccc4C54c5ccccc5-c5ccccc54)n3)c2CC1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3Oc3c(-c5cccc6c(-c7ccccc7)ccnc56)cccc3C43c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4cccc5c4Oc4c(-c6ccc7cccnc7c6)cccc4C54c5ccccc5-c5ccccc54)n3)c2)cc1.
What is the InChIKey of 8-[5'-[4-(7,8-dihydronaphthalen-1-yl)-6-phenylpyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-phenylquinoline;7-[5'-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline?
The InChIKey is RABKUCCVMCKIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C56H35N3O.C54H35N3O/c1-4-17-36(18-5-1)39-33-34-57-52-42(39)25-14-26-43(52)44-27-15-31-48-53(44)60-54-45(55-58-50(37-19-6-2-7-20-37)35-51(59-55)38-21-8-3-9-22-38)28-16-32-49(54)56(48)46-29-12-10-23-40(46)41-24-11-13-30-47(41)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;1-2-16-35(17-3-1)48-33-49(40-24-10-18-34-15-4-5-21-37(34)40)57-53(56-48)43-27-13-31-47-52(43)58-51-42(41-25-11-19-36-20-14-32-55-50(36)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;1-4,6-20,22-33H,5,21H2.
What are the key properties of 8-[5'-[4-(7,8-dihydronaphthalen-1-yl)-6-phenylpyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-phenylquinoline;7-[5'-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline?
8-[5'-[4-(7,8-dihydronaphthalen-1-yl)-6-phenylpyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-phenylquinoline;7-[5'-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline has a molecular weight of 2273.73 g/mol, XLogP of 40.78, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5'-[4-(7,8-dihydronaphthalen-1-yl)-6-phenylpyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-phenylquinoline;7-[5'-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline is sourced from PubChem (CID 160567121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).