benzene;N-[1-[6-[[(1Z)-buta-1,3-dienyl]iminomethyl]-4-[7'-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-pyridinyl]ethenyl]prop-2-en-1-imine;8-[7'-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]isoquinoline;4-[7'-[4-(5,6-dihydronaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]isoquinoline;2-[7-[2-(1,2-dihydropyridin-4-yl)-6-(2,3-dihydropyridin-4-yl)-4-pyridinyl]spiro[6,7-dihydroxanthene-9,9'-fluorene]-2-yl]-4,6-diphenyl-1,3,5-triazine;1-[3-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]isoquinoline;4-[4-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]quinoline

C328H222N28O6 — CID 160876079

IUPACbenzene;N-[1-[6-[[(1Z)-buta-1,3-dienyl]iminomethyl]-4-[7'-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-pyridinyl]ethenyl]prop-2-en-1-imine;8-[7'-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]isoquinoline;4-[7'-[4-(5,6-dihydronaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]isoquinoline;2-[7-[2-(1,2-dihydropyridin-4-yl)-6-(2,3-dihydropyridin-4-yl)-4-pyridinyl]spiro[6,7-dihydroxanthene-9,9'-fluorene]-2-yl]-4,6-diphenyl-1,3,5-triazine;1-[3-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]isoquinoline;4-[4-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]quinoline
SMILESC1=CC(c2cc(C3C=C4C(=CC3)Oc3ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc3C43c4ccccc4-c4ccccc43)cc(C3=CC=NCC3)n2)=CCN1.C1=CCCC(c2nc(-c3ccc(-c4ccc5c(c4)C4(c6cc(-c7cccc8ccncc78)ccc6O5)c5ccccc5-c5ccccc54)cc3)nc(C3C=CC=CC3)n2)=C1.C1=Cc2c(cccc2-c2ncnc(-c3ccc4c(c3)C3(c5cc(-c6cncc7ccccc67)ccc5O4)c4ccccc4-c4ccccc43)n2)CC1.C=C/C=C\N=C\c1cc(-c2ccc3c(c2)C2(c4cc(-c5nc(/C(C=C)=C/C=C)nc(-c6ccccc6)n5)ccc4O3)c3ccccc3-c3ccccc32)cc(C(=C)/N=C/C=C)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7ccnc8ccccc78)cc6)ccc5O4)c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5cc(-c6cccc(-c7nccc8ccccc78)c6)ccc5O4)c4ccccc4-c4ccccc43)n2)cc1.c1ccccc1
InChIInChI=1S/2C55H40N6O.C55H34N4O.C55H38N4O.C55H34N4O.C47H30N4O.C6H6/c1-3-11-37(12-4-1)52-59-53(38-13-5-2-6-14-38)61-54(60-52)40-20-22-51-47(32-40)55(44-17-9-7-15-42(44)43-16-8-10-18-45(43)55)46-31-39(19-21-50(46)62-51)41-33-48(35-23-27-56-28-24-35)58-49(34-41)36-25-29-57-30-26-36;1-6-10-30-56-35-42-31-41(34-49(58-42)36(5)57-29-8-3)39-25-27-50-47(32-39)55(45-23-16-14-21-43(45)44-22-15-17-24-46(44)55)48-33-40(26-28-51(48)62-50)54-60-52(37(9-4)18-7-2)59-53(61-54)38-19-12-11-13-20-38;1-3-13-37(14-4-1)52-57-53(38-15-5-2-6-16-38)59-54(58-52)40-28-30-51-48(34-40)55(45-20-10-7-17-42(45)43-18-8-11-21-46(43)55)47-33-39(27-29-50(47)60-51)35-23-25-36(26-24-35)41-31-32-56-49-22-12-9-19-44(41)49;1-3-12-37(13-4-1)52-57-53(38-14-5-2-6-15-38)59-54(58-52)39-24-22-35(23-25-39)40-26-28-50-48(32-40)55(46-20-9-7-17-43(46)44-18-8-10-21-47(44)55)49-33-41(27-29-51(49)60-50)42-19-11-16-36-30-31-56-34-45(36)42;1-3-15-36(16-4-1)52-57-53(37-17-5-2-6-18-37)59-54(58-52)41-27-29-50-48(34-41)55(45-24-11-9-22-43(45)44-23-10-12-25-46(44)55)47-33-39(26-28-49(47)60-50)38-19-13-20-40(32-38)51-42-21-8-7-14-35(42)30-31-56-51;1-3-13-33-29(10-1)12-9-17-37(33)46-50-28-49-45(51-46)31-21-23-44-42(25-31)47(39-18-7-5-15-35(39)36-16-6-8-19-40(36)47)41-24-30(20-22-43(41)52-44)38-27-48-26-32-11-2-4-14-34(32)38;1-2-4-6-5-3-1/h1-18,20-25,27,29,31-34,39,56H,19,26,28,30H2;6-35H,1-5H2;1-34H;1-5,7-12,14,16-34,37H,6,13,15H2;1-34H;2-9,11-28H,1,10H2;1-6H/b;30-10-,37-18+,56-35+,57-29+;;;;;
InChIKeySMKGOAUCCLIRHF-PWJSXUFGSA-N
MW4651.57 g/mol
LogP76.37
Rot. Bonds36

About benzene;N-[1-[6-[[(1Z)-buta-1,3-dienyl]iminomethyl]-4-[7'-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-pyridinyl]ethenyl]prop-2-en-1-imine;8-[7'-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]isoquinoline;4-[7'-[4-(5,6-dihydronaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]isoquinoline;2-[7-[2-(1,2-dihydropyridin-4-yl)-6-(2,3-dihydropyridin-4-yl)-4-pyridinyl]spiro[6,7-dihydroxanthene-9,9'-fluorene]-2-yl]-4,6-diphenyl-1,3,5-triazine;1-[3-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]isoquinoline;4-[4-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]quinoline

benzene;N-[1-[6-[[(1Z)-buta-1,3-dienyl]iminomethyl]-4-[7'-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-pyridinyl]ethenyl]prop-2-en-1-imine;8-[7'-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]isoquinoline;4-[7'-[4-(5,6-dihydronaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]isoquinoline;2-[7-[2-(1,2-dihydropyridin-4-yl)-6-(2,3-dihydropyridin-4-yl)-4-pyridinyl]spiro[6,7-dihydroxanthene-9,9'-fluorene]-2-yl]-4,6-diphenyl-1,3,5-triazine;1-[3-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]isoquinoline;4-[4-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]quinoline (PubChem CID 160876079) has the molecular formula C328H222N28O6 and a molecular weight of 4651.57 g/mol. Its IUPAC name is benzene;N-[1-[6-[[(1Z)-buta-1,3-dienyl]iminomethyl]-4-[7'-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-pyridinyl]ethenyl]prop-2-en-1-imine;8-[7'-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]isoquinoline;4-[7'-[4-(5,6-dihydronaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]isoquinoline;2-[7-[2-(1,2-dihydropyridin-4-yl)-6-(2,3-dihydropyridin-4-yl)-4-pyridinyl]spiro[6,7-dihydroxanthene-9,9'-fluorene]-2-yl]-4,6-diphenyl-1,3,5-triazine;1-[3-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]isoquinoline;4-[4-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]quinoline.

Molecular Properties

Compound Namebenzene;N-[1-[6-[[(1Z)-buta-1,3-dienyl]iminomethyl]-4-[7'-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-pyridinyl]ethenyl]prop-2-en-1-imine;8-[7'-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]isoquinoline;4-[7'-[4-(5,6-dihydronaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]isoquinoline;2-[7-[2-(1,2-dihydropyridin-4-yl)-6-(2,3-dihydropyridin-4-yl)-4-pyridinyl]spiro[6,7-dihydroxanthene-9,9'-fluorene]-2-yl]-4,6-diphenyl-1,3,5-triazine;1-[3-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]isoquinoline;4-[4-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]quinoline
PubChem CID160876079
Molecular FormulaC328H222N28O6
Molecular Weight4651.57 g/mol
Exact Mass4647.79
IUPAC Namebenzene;N-[1-[6-[[(1Z)-buta-1,3-dienyl]iminomethyl]-4-[7'-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-pyridinyl]ethenyl]prop-2-en-1-imine;8-[7'-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]isoquinoline;4-[7'-[4-(5,6-dihydronaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]isoquinoline;2-[7-[2-(1,2-dihydropyridin-4-yl)-6-(2,3-dihydropyridin-4-yl)-4-pyridinyl]spiro[6,7-dihydroxanthene-9,9'-fluorene]-2-yl]-4,6-diphenyl-1,3,5-triazine;1-[3-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]isoquinoline;4-[4-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]quinoline
SMILESC1=CC(c2cc(C3C=C4C(=CC3)Oc3ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc3C43c4ccccc4-c4ccccc43)cc(C3=CC=NCC3)n2)=CCN1.C1=CCCC(c2nc(-c3ccc(-c4ccc5c(c4)C4(c6cc(-c7cccc8ccncc78)ccc6O5)c5ccccc5-c5ccccc54)cc3)nc(C3C=CC=CC3)n2)=C1.C1=Cc2c(cccc2-c2ncnc(-c3ccc4c(c3)C3(c5cc(-c6cncc7ccccc67)ccc5O4)c4ccccc4-c4ccccc43)n2)CC1.C=C/C=C\N=C\c1cc(-c2ccc3c(c2)C2(c4cc(-c5nc(/C(C=C)=C/C=C)nc(-c6ccccc6)n5)ccc4O3)c3ccccc3-c3ccccc32)cc(C(=C)/N=C/C=C)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7ccnc8ccccc78)cc6)ccc5O4)c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5cc(-c6cccc(-c7nccc8ccccc78)c6)ccc5O4)c4ccccc4-c4ccccc43)n2)cc1.c1ccccc1
InChIInChI=1S/2C55H40N6O.C55H34N4O.C55H38N4O.C55H34N4O.C47H30N4O.C6H6/c1-3-11-37(12-4-1)52-59-53(38-13-5-2-6-14-38)61-54(60-52)40-20-22-51-47(32-40)55(44-17-9-7-15-42(44)43-16-8-10-18-45(43)55)46-31-39(19-21-50(46)62-51)41-33-48(35-23-27-56-28-24-35)58-49(34-41)36-25-29-57-30-26-36;1-6-10-30-56-35-42-31-41(34-49(58-42)36(5)57-29-8-3)39-25-27-50-47(32-39)55(45-23-16-14-21-43(45)44-22-15-17-24-46(44)55)48-33-40(26-28-51(48)62-50)54-60-52(37(9-4)18-7-2)59-53(61-54)38-19-12-11-13-20-38;1-3-13-37(14-4-1)52-57-53(38-15-5-2-6-16-38)59-54(58-52)40-28-30-51-48(34-40)55(45-20-10-7-17-42(45)43-18-8-11-21-46(43)55)47-33-39(27-29-50(47)60-51)35-23-25-36(26-24-35)41-31-32-56-49-22-12-9-19-44(41)49;1-3-12-37(13-4-1)52-57-53(38-14-5-2-6-15-38)59-54(58-52)39-24-22-35(23-25-39)40-26-28-50-48(32-40)55(46-20-9-7-17-43(46)44-18-8-10-21-47(44)55)49-33-41(27-29-51(49)60-50)42-19-11-16-36-30-31-56-34-45(36)42;1-3-15-36(16-4-1)52-57-53(37-17-5-2-6-18-37)59-54(58-52)41-27-29-50-48(34-41)55(45-24-11-9-22-43(45)44-23-10-12-25-46(44)55)47-33-39(26-28-49(47)60-50)38-19-13-20-40(32-38)51-42-21-8-7-14-35(42)30-31-56-51;1-3-13-33-29(10-1)12-9-17-37(33)46-50-28-49-45(51-46)31-21-23-44-42(25-31)47(39-18-7-5-15-35(39)36-16-6-8-19-40(36)47)41-24-30(20-22-43(41)52-44)38-27-48-26-32-11-2-4-14-34(32)38;1-2-4-6-5-3-1/h1-18,20-25,27,29,31-34,39,56H,19,26,28,30H2;6-35H,1-5H2;1-34H;1-5,7-12,14,16-34,37H,6,13,15H2;1-34H;2-9,11-28H,1,10H2;1-6H/b;30-10-,37-18+,56-35+,57-29+;;;;;
InChIKeySMKGOAUCCLIRHF-PWJSXUFGSA-N
XLogP76.37
TPSA413.85 Ų
H-Bond Donors1
H-Bond Acceptors34
Rotatable Bonds36
Heavy Atoms362
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004651.57
LogP ≤ 576.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1034

Analyze benzene;N-[1-[6-[[(1Z)-buta-1,3-dienyl]iminomethyl]-4-[7'-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-pyridinyl]ethenyl]prop-2-en-1-imine;8-[7'-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]isoquinoline;4-[7'-[4-(5,6-dihydronaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]isoquinoline;2-[7-[2-(1,2-dihydropyridin-4-yl)-6-(2,3-dihydropyridin-4-yl)-4-pyridinyl]spiro[6,7-dihydroxanthene-9,9'-fluorene]-2-yl]-4,6-diphenyl-1,3,5-triazine;1-[3-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]isoquinoline;4-[4-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]quinoline with MolForge

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Related Compounds

8-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]isoquinoline;1-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]isoquinoline;4-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]quinoline;5-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]quinoline;N-[1-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-6-pyridin-2-yl-2-pyridinyl]ethenyl]prop-2-en-1-imine;4-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]isoquinoline
CID 161374816
8-[7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]isoquinoline;4-[4-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]cyclohexa-1,5-dien-1-yl]quinoline;1-[3-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]phenyl]isoquinoline;2-[7'-(2,6-dipyridin-2-yl-3,4-dihydropyridin-4-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;4-[7'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]isoquinoline
CID 165033497
3-[4-[4-[4-[2-[(1Z)-buta-1,3-dienyl]-4-pyridinyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole;3-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(4-isoquinolin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole;(3Z)-3-[2-[4-[4-(1,2-dihydronaphthalen-1-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]prop-2-enylidene]-2-methylidene-1-phenylindole;2,9-diphenylcarbazole;(4Z,6E)-N-ethenyl-2,3-dimethylidene-7-[4-naphthalen-1-yl-6-[4-(9-phenylcarbazol-2-yl)phenyl]-1,3,5-triazin-2-yl]hepta-4,6-dien-1-imine;2-[4-[4-naphthalen-1-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole;3-[4-[4-naphthalen-1-yl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole;9-phenyl-2-[(3Z)-5-[4-(4-phenylcyclohexa-2,4-dien-1-yl)-6-(4-quinolin-4-ylphenyl)-1,3,5-triazin-2-yl]hexa-1,3,5-trien-2-yl]carbazole;4-[4-[4-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline
CID 167569085
2-cyclohexa-1,3-dien-1-yl-4-naphthalen-1-yl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 163502299
2-cyclohexa-2,4-dien-1-yl-4-[4-(4-phenylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 174255529
8-[6-[4-(4a,8a-dihydronaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]spiro[2,3-dihydroxanthene-9,9'-fluorene]-3-yl]-5,6-dihydroquinoline;N-[(3Z)-1-amino-2-methylidenehexa-3,5-dienylidene]-N'-[[6'-(3-quinolin-8-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]methyl]cyclohexa-1,5-diene-1-carboximidamide;N-benzylidene-N'-[(2E,4Z)-6-[6-(5,6-dihydroquinolin-8-yl)spiro[6,7-dihydroxanthene-9,9'-fluorene]-3-yl]-2-methylhexa-2,4-dienimidoyl]benzenecarboximidamide;8-[6-[4-[(1E,3E)-4-cyclohexa-1,5-dien-1-ylhexa-1,3,5-trienyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,9-diphenylxanthen-3-yl]quinoline;ethane;5-[6'-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline
CID 157421815
8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[2,3-dihydroxanthene-9,9'-fluorene]-2-yl]-5-phenylquinoline
CID 146548005
6-[3-[3-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-5-(3-phenanthren-9-ylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]quinoline
CID 144989867
4-[4-[9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7,8-dihydrodibenzofuran-4-yl]phenyl]isoquinoline
CID 142353374
5-[4-[5-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)spiro[8a,10a-dihydroxanthene-9,9'-fluorene]-4-yl]phenyl]quinoline;5-[5'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]isoquinoline;4-[4-[5'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]quinoline
CID 165102916
(2Z,4Z,6Z)-5-[[4-[7'-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-[(3E)-hexa-1,3,5-trien-3-yl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]methyl]octa-2,4,6-trien-4-amine
CID 153486799
2-cyclohexa-1,5-dien-1-yl-4-naphthalen-2-yl-6-[2-[4-[3-[4-[4-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine
CID 155442651

Frequently Asked Questions

What is the IUPAC name of benzene;N-[1-[6-[[(1Z)-buta-1,3-dienyl]iminomethyl]-4-[7'-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-pyridinyl]ethenyl]prop-2-en-1-imine;8-[7'-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]isoquinoline;4-[7'-[4-(5,6-dihydronaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]isoquinoline;2-[7-[2-(1,2-dihydropyridin-4-yl)-6-(2,3-dihydropyridin-4-yl)-4-pyridinyl]spiro[6,7-dihydroxanthene-9,9'-fluorene]-2-yl]-4,6-diphenyl-1,3,5-triazine;1-[3-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]isoquinoline;4-[4-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]quinoline?
The IUPAC name of benzene;N-[1-[6-[[(1Z)-buta-1,3-dienyl]iminomethyl]-4-[7'-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-pyridinyl]ethenyl]prop-2-en-1-imine;8-[7'-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]isoquinoline;4-[7'-[4-(5,6-dihydronaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]isoquinoline;2-[7-[2-(1,2-dihydropyridin-4-yl)-6-(2,3-dihydropyridin-4-yl)-4-pyridinyl]spiro[6,7-dihydroxanthene-9,9'-fluorene]-2-yl]-4,6-diphenyl-1,3,5-triazine;1-[3-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]isoquinoline;4-[4-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]quinoline (CID 160876079) is benzene;N-[1-[6-[[(1Z)-buta-1,3-dienyl]iminomethyl]-4-[7'-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-pyridinyl]ethenyl]prop-2-en-1-imine;8-[7'-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]isoquinoline;4-[7'-[4-(5,6-dihydronaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]isoquinoline;2-[7-[2-(1,2-dihydropyridin-4-yl)-6-(2,3-dihydropyridin-4-yl)-4-pyridinyl]spiro[6,7-dihydroxanthene-9,9'-fluorene]-2-yl]-4,6-diphenyl-1,3,5-triazine;1-[3-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]isoquinoline;4-[4-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]quinoline.
What is the SMILES notation for benzene;N-[1-[6-[[(1Z)-buta-1,3-dienyl]iminomethyl]-4-[7'-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-pyridinyl]ethenyl]prop-2-en-1-imine;8-[7'-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]isoquinoline;4-[7'-[4-(5,6-dihydronaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]isoquinoline;2-[7-[2-(1,2-dihydropyridin-4-yl)-6-(2,3-dihydropyridin-4-yl)-4-pyridinyl]spiro[6,7-dihydroxanthene-9,9'-fluorene]-2-yl]-4,6-diphenyl-1,3,5-triazine;1-[3-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]isoquinoline;4-[4-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]quinoline?
The canonical SMILES for benzene;N-[1-[6-[[(1Z)-buta-1,3-dienyl]iminomethyl]-4-[7'-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-pyridinyl]ethenyl]prop-2-en-1-imine;8-[7'-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]isoquinoline;4-[7'-[4-(5,6-dihydronaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]isoquinoline;2-[7-[2-(1,2-dihydropyridin-4-yl)-6-(2,3-dihydropyridin-4-yl)-4-pyridinyl]spiro[6,7-dihydroxanthene-9,9'-fluorene]-2-yl]-4,6-diphenyl-1,3,5-triazine;1-[3-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]isoquinoline;4-[4-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]quinoline is C1=CC(c2cc(C3C=C4C(=CC3)Oc3ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc3C43c4ccccc4-c4ccccc43)cc(C3=CC=NCC3)n2)=CCN1.C1=CCCC(c2nc(-c3ccc(-c4ccc5c(c4)C4(c6cc(-c7cccc8ccncc78)ccc6O5)c5ccccc5-c5ccccc54)cc3)nc(C3C=CC=CC3)n2)=C1.C1=Cc2c(cccc2-c2ncnc(-c3ccc4c(c3)C3(c5cc(-c6cncc7ccccc67)ccc5O4)c4ccccc4-c4ccccc43)n2)CC1.C=C/C=C\N=C\c1cc(-c2ccc3c(c2)C2(c4cc(-c5nc(/C(C=C)=C/C=C)nc(-c6ccccc6)n5)ccc4O3)c3ccccc3-c3ccccc32)cc(C(=C)/N=C/C=C)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7ccnc8ccccc78)cc6)ccc5O4)c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5cc(-c6cccc(-c7nccc8ccccc78)c6)ccc5O4)c4ccccc4-c4ccccc43)n2)cc1.c1ccccc1.
What is the InChIKey of benzene;N-[1-[6-[[(1Z)-buta-1,3-dienyl]iminomethyl]-4-[7'-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-pyridinyl]ethenyl]prop-2-en-1-imine;8-[7'-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]isoquinoline;4-[7'-[4-(5,6-dihydronaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]isoquinoline;2-[7-[2-(1,2-dihydropyridin-4-yl)-6-(2,3-dihydropyridin-4-yl)-4-pyridinyl]spiro[6,7-dihydroxanthene-9,9'-fluorene]-2-yl]-4,6-diphenyl-1,3,5-triazine;1-[3-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]isoquinoline;4-[4-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]quinoline?
The InChIKey is SMKGOAUCCLIRHF-PWJSXUFGSA-N. The full InChI is InChI=1S/2C55H40N6O.C55H34N4O.C55H38N4O.C55H34N4O.C47H30N4O.C6H6/c1-3-11-37(12-4-1)52-59-53(38-13-5-2-6-14-38)61-54(60-52)40-20-22-51-47(32-40)55(44-17-9-7-15-42(44)43-16-8-10-18-45(43)55)46-31-39(19-21-50(46)62-51)41-33-48(35-23-27-56-28-24-35)58-49(34-41)36-25-29-57-30-26-36;1-6-10-30-56-35-42-31-41(34-49(58-42)36(5)57-29-8-3)39-25-27-50-47(32-39)55(45-23-16-14-21-43(45)44-22-15-17-24-46(44)55)48-33-40(26-28-51(48)62-50)54-60-52(37(9-4)18-7-2)59-53(61-54)38-19-12-11-13-20-38;1-3-13-37(14-4-1)52-57-53(38-15-5-2-6-16-38)59-54(58-52)40-28-30-51-48(34-40)55(45-20-10-7-17-42(45)43-18-8-11-21-46(43)55)47-33-39(27-29-50(47)60-51)35-23-25-36(26-24-35)41-31-32-56-49-22-12-9-19-44(41)49;1-3-12-37(13-4-1)52-57-53(38-14-5-2-6-15-38)59-54(58-52)39-24-22-35(23-25-39)40-26-28-50-48(32-40)55(46-20-9-7-17-43(46)44-18-8-10-21-47(44)55)49-33-41(27-29-51(49)60-50)42-19-11-16-36-30-31-56-34-45(36)42;1-3-15-36(16-4-1)52-57-53(37-17-5-2-6-18-37)59-54(58-52)41-27-29-50-48(34-41)55(45-24-11-9-22-43(45)44-23-10-12-25-46(44)55)47-33-39(26-28-49(47)60-50)38-19-13-20-40(32-38)51-42-21-8-7-14-35(42)30-31-56-51;1-3-13-33-29(10-1)12-9-17-37(33)46-50-28-49-45(51-46)31-21-23-44-42(25-31)47(39-18-7-5-15-35(39)36-16-6-8-19-40(36)47)41-24-30(20-22-43(41)52-44)38-27-48-26-32-11-2-4-14-34(32)38;1-2-4-6-5-3-1/h1-18,20-25,27,29,31-34,39,56H,19,26,28,30H2;6-35H,1-5H2;1-34H;1-5,7-12,14,16-34,37H,6,13,15H2;1-34H;2-9,11-28H,1,10H2;1-6H/b;30-10-,37-18+,56-35+,57-29+;;;;;.
What are the key properties of benzene;N-[1-[6-[[(1Z)-buta-1,3-dienyl]iminomethyl]-4-[7'-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-pyridinyl]ethenyl]prop-2-en-1-imine;8-[7'-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]isoquinoline;4-[7'-[4-(5,6-dihydronaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]isoquinoline;2-[7-[2-(1,2-dihydropyridin-4-yl)-6-(2,3-dihydropyridin-4-yl)-4-pyridinyl]spiro[6,7-dihydroxanthene-9,9'-fluorene]-2-yl]-4,6-diphenyl-1,3,5-triazine;1-[3-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]isoquinoline;4-[4-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]quinoline?
benzene;N-[1-[6-[[(1Z)-buta-1,3-dienyl]iminomethyl]-4-[7'-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-pyridinyl]ethenyl]prop-2-en-1-imine;8-[7'-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]isoquinoline;4-[7'-[4-(5,6-dihydronaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]isoquinoline;2-[7-[2-(1,2-dihydropyridin-4-yl)-6-(2,3-dihydropyridin-4-yl)-4-pyridinyl]spiro[6,7-dihydroxanthene-9,9'-fluorene]-2-yl]-4,6-diphenyl-1,3,5-triazine;1-[3-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]isoquinoline;4-[4-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]quinoline has a molecular weight of 4651.57 g/mol, XLogP of 76.37, 36 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-[1-[6-[[(1Z)-buta-1,3-dienyl]iminomethyl]-4-[7'-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-pyridinyl]ethenyl]prop-2-en-1-imine;8-[7'-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]isoquinoline;4-[7'-[4-(5,6-dihydronaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]isoquinoline;2-[7-[2-(1,2-dihydropyridin-4-yl)-6-(2,3-dihydropyridin-4-yl)-4-pyridinyl]spiro[6,7-dihydroxanthene-9,9'-fluorene]-2-yl]-4,6-diphenyl-1,3,5-triazine;1-[3-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]isoquinoline;4-[4-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]quinoline is sourced from PubChem (CID 160876079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).