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

C274H175N15O5 — CID 158610385

IUPAC8-[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
SMILESC1=CC2Oc3ccccc3C3(c4cc(-c5cc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccccc6)n5)ccc4-c4ccc(-c5cccc6cccnc56)cc43)C2C=C1.C1=C\C=C\C2(c3ccccc3O/C=C/1)c1cc(-c3ccc4cccnc4c3)ccc1-c1ccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4ccccc4)n3)cc12.c1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5ccc(-c6ccccc6)c6cccnc56)ccc3-4)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5cccc6cccnc56)ccc3-4)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4cc(-c6cccc7cccnc67)ccc4-5)cc3)n2)cc1
InChIInChI=1S/2C56H35N3O.2C56H37N3O.C50H31N3O/c1-4-15-36(16-5-1)41-30-31-42(54-45(41)21-14-32-57-54)39-26-28-43-44-29-27-40(51-35-50(37-17-6-2-7-18-37)58-55(59-51)38-19-8-3-9-20-38)34-49(44)56(48(43)33-39)46-22-10-12-24-52(46)60-53-25-13-11-23-47(53)56;1-3-13-37(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;1-3-13-36(14-4-1)37-24-26-38(27-25-37)50-35-51(59-55(58-50)40-15-5-2-6-16-40)42-29-31-45-44-30-28-41(43-19-11-17-39-18-12-32-57-54(39)43)33-48(44)56(49(45)34-42)46-20-7-9-22-52(46)60-53-23-10-8-21-47(53)56;1-2-12-32-60-54-23-10-9-22-48(54)56(30-11-1)49-34-42(43-25-24-39-21-14-31-57-51(39)36-43)26-28-46(49)47-29-27-45(35-50(47)56)53-37-52(58-55(59-53)40-17-7-4-8-18-40)44-20-13-19-41(33-44)38-15-5-3-6-16-38;1-3-13-32(14-4-1)44-31-45(53-49(52-44)34-15-5-2-6-16-34)36-25-27-39-38-26-24-35(37-19-11-17-33-18-12-28-51-48(33)37)29-42(38)50(43(39)30-36)40-20-7-9-22-46(40)54-47-23-10-8-21-41(47)50/h2*1-35H;1-35,46,52H;1-37H;1-31H/b;;;2-1-,30-11+,32-12+;
InChIKeyHWTMMSOPMGVZKI-MENIDSOBSA-N
MW3757.51 g/mol
LogP66.69
Rot. Bonds24

About 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

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 (PubChem CID 158610385) has the molecular formula C274H175N15O5 and a molecular weight of 3757.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[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
PubChem CID158610385
Molecular FormulaC274H175N15O5
Molecular Weight3757.51 g/mol
Exact Mass3754.39
IUPAC Name8-[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
SMILESC1=CC2Oc3ccccc3C3(c4cc(-c5cc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccccc6)n5)ccc4-c4ccc(-c5cccc6cccnc56)cc43)C2C=C1.C1=C\C=C\C2(c3ccccc3O/C=C/1)c1cc(-c3ccc4cccnc4c3)ccc1-c1ccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4ccccc4)n3)cc12.c1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5ccc(-c6ccccc6)c6cccnc56)ccc3-4)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5cccc6cccnc56)ccc3-4)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4cc(-c6cccc7cccnc67)ccc4-5)cc3)n2)cc1
InChIInChI=1S/2C56H35N3O.2C56H37N3O.C50H31N3O/c1-4-15-36(16-5-1)41-30-31-42(54-45(41)21-14-32-57-54)39-26-28-43-44-29-27-40(51-35-50(37-17-6-2-7-18-37)58-55(59-51)38-19-8-3-9-20-38)34-49(44)56(48(43)33-39)46-22-10-12-24-52(46)60-53-25-13-11-23-47(53)56;1-3-13-37(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;1-3-13-36(14-4-1)37-24-26-38(27-25-37)50-35-51(59-55(58-50)40-15-5-2-6-16-40)42-29-31-45-44-30-28-41(43-19-11-17-39-18-12-32-57-54(39)43)33-48(44)56(49(45)34-42)46-20-7-9-22-52(46)60-53-23-10-8-21-47(53)56;1-2-12-32-60-54-23-10-9-22-48(54)56(30-11-1)49-34-42(43-25-24-39-21-14-31-57-51(39)36-43)26-28-46(49)47-29-27-45(35-50(47)56)53-37-52(58-55(59-53)40-17-7-4-8-18-40)44-20-13-19-41(33-44)38-15-5-3-6-16-38;1-3-13-32(14-4-1)44-31-45(53-49(52-44)34-15-5-2-6-16-34)36-25-27-39-38-26-24-35(37-19-11-17-33-18-12-28-51-48(33)37)29-42(38)50(43(39)30-36)40-20-7-9-22-46(40)54-47-23-10-8-21-41(47)50/h2*1-35H;1-35,46,52H;1-37H;1-31H/b;;;2-1-,30-11+,32-12+;
InChIKeyHWTMMSOPMGVZKI-MENIDSOBSA-N
XLogP66.69
TPSA239.50 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms294
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003757.51
LogP ≤ 566.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-[(9R)-7'-(2,6-diphenylpyrimidin-4-yl)spiro[4a,9a-dihydroxanthene-9,9'-fluorene]-2'-yl]phenyl]quinoline
CID 146547855
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-[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
8-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline
CID 146547799
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-[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-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-(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
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
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
7-[6'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline
CID 164793113

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;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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC2Oc3ccccc3C3(c4cc(-c5cc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccccc6)n5)ccc4-c4ccc(-c5cccc6cccnc56)cc43)C2C=C1.C1=C\C=C\C2(c3ccccc3O/C=C/1)c1cc(-c3ccc4cccnc4c3)ccc1-c1ccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4ccccc4)n3)cc12.c1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5ccc(-c6ccccc6)c6cccnc56)ccc3-4)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5cccc6cccnc56)ccc3-4)nc(-c3ccccc3)n2)cc1.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;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?
The InChIKey is HWTMMSOPMGVZKI-MENIDSOBSA-N. The full InChI is InChI=1S/2C56H35N3O.2C56H37N3O.C50H31N3O/c1-4-15-36(16-5-1)41-30-31-42(54-45(41)21-14-32-57-54)39-26-28-43-44-29-27-40(51-35-50(37-17-6-2-7-18-37)58-55(59-51)38-19-8-3-9-20-38)34-49(44)56(48(43)33-39)46-22-10-12-24-52(46)60-53-25-13-11-23-47(53)56;1-3-13-37(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;1-3-13-36(14-4-1)37-24-26-38(27-25-37)50-35-51(59-55(58-50)40-15-5-2-6-16-40)42-29-31-45-44-30-28-41(43-19-11-17-39-18-12-32-57-54(39)43)33-48(44)56(49(45)34-42)46-20-7-9-22-52(46)60-53-23-10-8-21-47(53)56;1-2-12-32-60-54-23-10-9-22-48(54)56(30-11-1)49-34-42(43-25-24-39-21-14-31-57-51(39)36-43)26-28-46(49)47-29-27-45(35-50(47)56)53-37-52(58-55(59-53)40-17-7-4-8-18-40)44-20-13-19-41(33-44)38-15-5-3-6-16-38;1-3-13-32(14-4-1)44-31-45(53-49(52-44)34-15-5-2-6-16-34)36-25-27-39-38-26-24-35(37-19-11-17-33-18-12-28-51-48(33)37)29-42(38)50(43(39)30-36)40-20-7-9-22-46(40)54-47-23-10-8-21-41(47)50/h2*1-35H;1-35,46,52H;1-37H;1-31H/b;;;2-1-,30-11+,32-12+;.
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-(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?
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 has a molecular weight of 3757.51 g/mol, XLogP of 66.69, 24 rotatable bonds, 0 hydrogen bond donors, and 20 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;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 is sourced from PubChem (CID 158610385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).