2-dibenzothiophen-2-yl-4-(4-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(2-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine

C366H222N18S6 — CID 158617949

IUPAC2-dibenzothiophen-2-yl-4-(4-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(2-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5)cc4)nc(-c4ccc5sc6ccccc6c5c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc(-c5ccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5)cc4)nc(-c4ccc5c(c4)sc4ccccc45)n3)c2)cc1.c1ccc(-c2ccccc2-c2nc(-c3ccc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cc3)nc(-c3cccc4sc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)c4)cc3)nc(-c3cccc4sc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)c3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1
InChIInChI=1S/3C64H39N3S.3C58H35N3S/c1-2-13-40(14-3-1)45-15-12-16-47(37-45)62-65-61(66-63(67-62)48-34-36-54-53-20-7-11-24-59(53)68-60(54)39-48)44-31-29-42(30-32-44)41-25-27-43(28-26-41)46-33-35-52-51-19-6-10-23-57(51)64(58(52)38-46)55-21-8-4-17-49(55)50-18-5-9-22-56(50)64;1-2-12-40(13-3-1)41-26-30-45(31-27-41)61-65-62(67-63(66-61)48-35-37-60-54(38-48)53-17-7-11-21-59(53)68-60)46-32-28-43(29-33-46)42-22-24-44(25-23-42)47-34-36-52-51-16-6-10-20-57(51)64(58(52)39-47)55-18-8-4-14-49(55)50-15-5-9-19-56(50)64;1-2-15-43(16-3-1)46-17-4-5-22-53(46)62-65-61(66-63(67-62)54-24-14-23-52-51-21-9-13-28-59(51)68-60(52)54)44-35-33-41(34-36-44)40-29-31-42(32-30-40)45-37-38-50-49-20-8-12-27-57(49)64(58(50)39-45)55-25-10-6-18-47(55)48-19-7-11-26-56(48)64;1-2-14-37(15-3-1)55-59-56(61-57(60-55)46-22-13-27-53-54(46)45-21-7-11-26-52(45)62-53)38-30-28-36(29-31-38)39-16-12-17-40(34-39)41-32-33-51-47(35-41)44-20-6-10-25-50(44)58(51)48-23-8-4-18-42(48)43-19-5-9-24-49(43)58;1-2-13-38(14-3-1)55-59-56(61-57(60-55)42-30-32-54-48(35-42)46-20-7-11-24-53(46)62-54)41-16-12-15-39(33-41)36-25-27-37(28-26-36)40-29-31-52-47(34-40)45-19-6-10-23-51(45)58(52)49-21-8-4-17-43(49)44-18-5-9-22-50(44)58;1-2-13-39(14-3-1)55-59-56(61-57(60-55)47-19-12-24-53-54(47)46-18-7-11-23-52(46)62-53)40-31-29-37(30-32-40)36-25-27-38(28-26-36)41-33-34-45-44-17-6-10-22-50(44)58(51(45)35-41)48-20-8-4-15-42(48)43-16-5-9-21-49(43)58/h3*1-39H;3*1-35H
InChIKeyHXPYFBJHXPUUEV-UHFFFAOYSA-N
MW5064.33 g/mol
LogP94.51
Rot. Bonds33

About 2-dibenzothiophen-2-yl-4-(4-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(2-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine

2-dibenzothiophen-2-yl-4-(4-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(2-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine (PubChem CID 158617949) has the molecular formula C366H222N18S6 and a molecular weight of 5064.33 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-4-(4-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(2-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-4-(4-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(2-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine
PubChem CID158617949
Molecular FormulaC366H222N18S6
Molecular Weight5064.33 g/mol
Exact Mass5059.62
IUPAC Name2-dibenzothiophen-2-yl-4-(4-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(2-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5)cc4)nc(-c4ccc5sc6ccccc6c5c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc(-c5ccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5)cc4)nc(-c4ccc5c(c4)sc4ccccc45)n3)c2)cc1.c1ccc(-c2ccccc2-c2nc(-c3ccc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cc3)nc(-c3cccc4sc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)c4)cc3)nc(-c3cccc4sc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)c3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1
InChIInChI=1S/3C64H39N3S.3C58H35N3S/c1-2-13-40(14-3-1)45-15-12-16-47(37-45)62-65-61(66-63(67-62)48-34-36-54-53-20-7-11-24-59(53)68-60(54)39-48)44-31-29-42(30-32-44)41-25-27-43(28-26-41)46-33-35-52-51-19-6-10-23-57(51)64(58(52)38-46)55-21-8-4-17-49(55)50-18-5-9-22-56(50)64;1-2-12-40(13-3-1)41-26-30-45(31-27-41)61-65-62(67-63(66-61)48-35-37-60-54(38-48)53-17-7-11-21-59(53)68-60)46-32-28-43(29-33-46)42-22-24-44(25-23-42)47-34-36-52-51-16-6-10-20-57(51)64(58(52)39-47)55-18-8-4-14-49(55)50-15-5-9-19-56(50)64;1-2-15-43(16-3-1)46-17-4-5-22-53(46)62-65-61(66-63(67-62)54-24-14-23-52-51-21-9-13-28-59(51)68-60(52)54)44-35-33-41(34-36-44)40-29-31-42(32-30-40)45-37-38-50-49-20-8-12-27-57(49)64(58(50)39-45)55-25-10-6-18-47(55)48-19-7-11-26-56(48)64;1-2-14-37(15-3-1)55-59-56(61-57(60-55)46-22-13-27-53-54(46)45-21-7-11-26-52(45)62-53)38-30-28-36(29-31-38)39-16-12-17-40(34-39)41-32-33-51-47(35-41)44-20-6-10-25-50(44)58(51)48-23-8-4-18-42(48)43-19-5-9-24-49(43)58;1-2-13-38(14-3-1)55-59-56(61-57(60-55)42-30-32-54-48(35-42)46-20-7-11-24-53(46)62-54)41-16-12-15-39(33-41)36-25-27-37(28-26-36)40-29-31-52-47(34-40)45-19-6-10-23-51(45)58(52)49-21-8-4-17-43(49)44-18-5-9-22-50(44)58;1-2-13-39(14-3-1)55-59-56(61-57(60-55)47-19-12-24-53-54(47)46-18-7-11-23-52(46)62-53)40-31-29-37(30-32-40)36-25-27-38(28-26-36)41-33-34-45-44-17-6-10-22-50(44)58(51(45)35-41)48-20-8-4-15-42(48)43-16-5-9-21-49(43)58/h3*1-39H;3*1-35H
InChIKeyHXPYFBJHXPUUEV-UHFFFAOYSA-N
XLogP94.51
TPSA232.02 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds33
Heavy Atoms390
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005064.33
LogP ≤ 594.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 2-dibenzothiophen-2-yl-4-(4-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(2-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-4-(4-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(2-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-2-yl-4-(4-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(2-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine (CID 158617949) is 2-dibenzothiophen-2-yl-4-(4-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(2-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-2-yl-4-(4-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(2-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-2-yl-4-(4-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(2-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5)cc4)nc(-c4ccc5sc6ccccc6c5c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc(-c5ccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5)cc4)nc(-c4ccc5c(c4)sc4ccccc45)n3)c2)cc1.c1ccc(-c2ccccc2-c2nc(-c3ccc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cc3)nc(-c3cccc4sc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)c4)cc3)nc(-c3cccc4sc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)c3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1.
What is the InChIKey of 2-dibenzothiophen-2-yl-4-(4-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(2-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine?
The InChIKey is HXPYFBJHXPUUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C64H39N3S.3C58H35N3S/c1-2-13-40(14-3-1)45-15-12-16-47(37-45)62-65-61(66-63(67-62)48-34-36-54-53-20-7-11-24-59(53)68-60(54)39-48)44-31-29-42(30-32-44)41-25-27-43(28-26-41)46-33-35-52-51-19-6-10-23-57(51)64(58(52)38-46)55-21-8-4-17-49(55)50-18-5-9-22-56(50)64;1-2-12-40(13-3-1)41-26-30-45(31-27-41)61-65-62(67-63(66-61)48-35-37-60-54(38-48)53-17-7-11-21-59(53)68-60)46-32-28-43(29-33-46)42-22-24-44(25-23-42)47-34-36-52-51-16-6-10-20-57(51)64(58(52)39-47)55-18-8-4-14-49(55)50-15-5-9-19-56(50)64;1-2-15-43(16-3-1)46-17-4-5-22-53(46)62-65-61(66-63(67-62)54-24-14-23-52-51-21-9-13-28-59(51)68-60(52)54)44-35-33-41(34-36-44)40-29-31-42(32-30-40)45-37-38-50-49-20-8-12-27-57(49)64(58(50)39-45)55-25-10-6-18-47(55)48-19-7-11-26-56(48)64;1-2-14-37(15-3-1)55-59-56(61-57(60-55)46-22-13-27-53-54(46)45-21-7-11-26-52(45)62-53)38-30-28-36(29-31-38)39-16-12-17-40(34-39)41-32-33-51-47(35-41)44-20-6-10-25-50(44)58(51)48-23-8-4-18-42(48)43-19-5-9-24-49(43)58;1-2-13-38(14-3-1)55-59-56(61-57(60-55)42-30-32-54-48(35-42)46-20-7-11-24-53(46)62-54)41-16-12-15-39(33-41)36-25-27-37(28-26-36)40-29-31-52-47(34-40)45-19-6-10-23-51(45)58(52)49-21-8-4-17-43(49)44-18-5-9-22-50(44)58;1-2-13-39(14-3-1)55-59-56(61-57(60-55)47-19-12-24-53-54(47)46-18-7-11-23-52(46)62-53)40-31-29-37(30-32-40)36-25-27-38(28-26-36)41-33-34-45-44-17-6-10-22-50(44)58(51(45)35-41)48-20-8-4-15-42(48)43-16-5-9-21-49(43)58/h3*1-39H;3*1-35H.
What are the key properties of 2-dibenzothiophen-2-yl-4-(4-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(2-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine?
2-dibenzothiophen-2-yl-4-(4-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(2-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine has a molecular weight of 5064.33 g/mol, XLogP of 94.51, 33 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-2-yl-4-(4-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(2-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 158617949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).