17-[9,9-bis(4-ethenoxyphenyl)fluoren-4-yl]-19-[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-4,11-dibromo-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9,9-diphenylfluoren-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9,9'-spirobi[fluorene]-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-di(dibenzofuran-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-di(dibenzothiophen-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;methane

C364H210Br12N14O6S8 — CID 160802477

About 17-[9,9-bis(4-ethenoxyphenyl)fluoren-4-yl]-19-[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-4,11-dibromo-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9,9-diphenylfluoren-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9,9'-spirobi[fluorene]-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-di(dibenzofuran-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-di(dibenzothiophen-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;methane

17-[9,9-bis(4-ethenoxyphenyl)fluoren-4-yl]-19-[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-4,11-dibromo-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9,9-diphenylfluoren-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9,9'-spirobi[fluorene]-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-di(dibenzofuran-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-di(dibenzothiophen-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;methane (PubChem CID 160802477) has the molecular formula C364H210Br12N14O6S8 and a molecular weight of 6091.16 g/mol. Its IUPAC name is 17-[9,9-bis(4-ethenoxyphenyl)fluoren-4-yl]-19-[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-4,11-dibromo-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9,9-diphenylfluoren-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9,9'-spirobi[fluorene]-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-di(dibenzofuran-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-di(dibenzothiophen-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;methane.

Molecular Properties

• Compound Name: 17-[9,9-bis(4-ethenoxyphenyl)fluoren-4-yl]-19-[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-4,11-dibromo-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9,9-diphenylfluoren-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9,9'-spirobi[fluorene]-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-di(dibenzofuran-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-di(dibenzothiophen-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;methane
• PubChem CID: 160802477
• Molecular Formula: C364H210Br12N14O6S8
• Molecular Weight: 6091.16 g/mol
• Exact Mass: 6074.45
• IUPAC Name: 17-[9,9-bis(4-ethenoxyphenyl)fluoren-4-yl]-19-[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-4,11-dibromo-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9,9-diphenylfluoren-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9,9'-spirobi[fluorene]-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-di(dibenzofuran-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-di(dibenzothiophen-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;methane
• SMILES: Brc1ccc2c3ccc(Br)cc3c3nc4c(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)sc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4nc3c2c1.Brc1ccc2c3ccc(Br)cc3c3nc4c(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)sc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c4nc3c2c1.Brc1ccc2c3ccc(Br)cc3c3nc4c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)sc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4nc3c2c1.Brc1ccc2c3ccc(Br)cc3c3nc4c(-c5cccc6c5oc5ccccc56)sc(-c5cccc6c5oc5ccccc56)c4nc3c2c1.Brc1ccc2c3ccc(Br)cc3c3nc4c(-c5cccc6c5sc5ccccc56)sc(-c5cccc6c5sc5ccccc56)c4nc3c2c1.C.C.C=COc1ccc(C2(c3ccc(OC=C)cc3)c3ccccc3-c3c(-c4sc(-c5cccc6c5-c5ccccc5C6(c5ccc(Oc6ccc(C=C)cc6)cc5)c5ccc(Oc6ccc(C=C)cc6)cc5)c5nc6c7cc(Br)ccc7c7ccc(Br)cc7c6nc45)cccc32)cc1
• InChI: InChI=1S/C88H56Br2N2O4S.C68H36Br2N2S.C68H40Br2N2S.C54H30Br2N4S.C42H20Br2N2O2S.C42H20Br2N2S3.2CH4/c1-5-53-23-37-63(38-24-53)95-65-45-31-57(32-46-65)88(58-33-47-66(48-34-58)96-64-39-25-54(6-2)26-40-64)76-20-12-10-16-70(76)80-72(18-14-22-78(80)88)86-84-83(91-81-73-51-59(89)35-49-67(73)68-50-36-60(90)52-74(68)82(81)92-84)85(97-86)71-17-13-21-77-79(71)69-15-9-11-19-75(69)87(77,55-27-41-61(42-28-55)93-7-3)56-29-43-62(44-30-56)94-8-4;69-39-27-31-41-42-32-28-40(70)36-52(42)62-61(51(41)35-39)71-63-64(72-62)66(38-26-30-50-48-18-6-12-24-58(48)68(60(50)34-38)55-21-9-3-15-45(55)46-16-4-10-22-56(46)68)73-65(63)37-25-29-49-47-17-5-11-23-57(47)67(59(49)33-37)53-19-7-1-13-43(53)44-14-2-8-20-54(44)67;69-47-31-35-49-50-36-32-48(70)40-56(50)62-61(55(49)39-47)71-63-64(72-62)66(42-30-34-54-52-26-14-16-28-58(52)68(60(54)38-42,45-21-9-3-10-22-45)46-23-11-4-12-24-46)73-65(63)41-29-33-53-51-25-13-15-27-57(51)67(59(53)37-41,43-17-5-1-6-18-43)44-19-7-2-8-20-44;55-33-21-25-37-38-26-22-34(56)30-44(38)50-49(43(37)29-33)57-51-52(58-50)54(32-20-24-42-40-16-8-10-18-46(40)60(48(42)28-32)36-13-5-2-6-14-36)61-53(51)31-19-23-41-39-15-7-9-17-45(39)59(47(41)27-31)35-11-3-1-4-12-35;2*43-21-15-17-23-24-18-16-22(44)20-32(24)36-35(31(23)19-21)45-37-38(46-36)42(30-12-6-10-28-26-8-2-4-14-34(26)48-40(28)30)49-41(37)29-11-5-9-27-25-7-1-3-13-33(25)47-39(27)29;;/h5-52H,1-4H2;1-36H;1-40H;1-30H;2*1-20H;2*1H4
• InChIKey: SDGNUJDRKKIAMM-UHFFFAOYSA-N
• XLogP: 108.11
• TPSA: 227.74 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 32
• Heavy Atoms: 404
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	6091.16
LogP ≤ 5	108.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 17-[9,9-bis(4-ethenoxyphenyl)fluoren-4-yl]-19-[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-4,11-dibromo-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9,9-diphenylfluoren-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9,9'-spirobi[fluorene]-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-di(dibenzofuran-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-di(dibenzothiophen-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;methane?

The IUPAC name of 17-[9,9-bis(4-ethenoxyphenyl)fluoren-4-yl]-19-[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-4,11-dibromo-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9,9-diphenylfluoren-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9,9'-spirobi[fluorene]-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-di(dibenzofuran-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-di(dibenzothiophen-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;methane (CID 160802477) is 17-[9,9-bis(4-ethenoxyphenyl)fluoren-4-yl]-19-[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-4,11-dibromo-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9,9-diphenylfluoren-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9,9'-spirobi[fluorene]-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-di(dibenzofuran-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-di(dibenzothiophen-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;methane.

What is the SMILES notation for 17-[9,9-bis(4-ethenoxyphenyl)fluoren-4-yl]-19-[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-4,11-dibromo-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9,9-diphenylfluoren-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9,9'-spirobi[fluorene]-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-di(dibenzofuran-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-di(dibenzothiophen-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;methane?

The canonical SMILES for 17-[9,9-bis(4-ethenoxyphenyl)fluoren-4-yl]-19-[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-4,11-dibromo-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9,9-diphenylfluoren-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9,9'-spirobi[fluorene]-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-di(dibenzofuran-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-di(dibenzothiophen-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;methane is Brc1ccc2c3ccc(Br)cc3c3nc4c(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)sc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4nc3c2c1.Brc1ccc2c3ccc(Br)cc3c3nc4c(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)sc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c4nc3c2c1.Brc1ccc2c3ccc(Br)cc3c3nc4c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)sc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4nc3c2c1.Brc1ccc2c3ccc(Br)cc3c3nc4c(-c5cccc6c5oc5ccccc56)sc(-c5cccc6c5oc5ccccc56)c4nc3c2c1.Brc1ccc2c3ccc(Br)cc3c3nc4c(-c5cccc6c5sc5ccccc56)sc(-c5cccc6c5sc5ccccc56)c4nc3c2c1.C.C.C=COc1ccc(C2(c3ccc(OC=C)cc3)c3ccccc3-c3c(-c4sc(-c5cccc6c5-c5ccccc5C6(c5ccc(Oc6ccc(C=C)cc6)cc5)c5ccc(Oc6ccc(C=C)cc6)cc5)c5nc6c7cc(Br)ccc7c7ccc(Br)cc7c6nc45)cccc32)cc1.

What is the InChIKey of 17-[9,9-bis(4-ethenoxyphenyl)fluoren-4-yl]-19-[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-4,11-dibromo-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9,9-diphenylfluoren-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9,9'-spirobi[fluorene]-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-di(dibenzofuran-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-di(dibenzothiophen-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;methane?

The InChIKey is SDGNUJDRKKIAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H56Br2N2O4S.C68H36Br2N2S.C68H40Br2N2S.C54H30Br2N4S.C42H20Br2N2O2S.C42H20Br2N2S3.2CH4/c1-5-53-23-37-63(38-24-53)95-65-45-31-57(32-46-65)88(58-33-47-66(48-34-58)96-64-39-25-54(6-2)26-40-64)76-20-12-10-16-70(76)80-72(18-14-22-78(80)88)86-84-83(91-81-73-51-59(89)35-49-67(73)68-50-36-60(90)52-74(68)82(81)92-84)85(97-86)71-17-13-21-77-79(71)69-15-9-11-19-75(69)87(77,55-27-41-61(42-28-55)93-7-3)56-29-43-62(44-30-56)94-8-4;69-39-27-31-41-42-32-28-40(70)36-52(42)62-61(51(41)35-39)71-63-64(72-62)66(38-26-30-50-48-18-6-12-24-58(48)68(60(50)34-38)55-21-9-3-15-45(55)46-16-4-10-22-56(46)68)73-65(63)37-25-29-49-47-17-5-11-23-57(47)67(59(49)33-37)53-19-7-1-13-43(53)44-14-2-8-20-54(44)67;69-47-31-35-49-50-36-32-48(70)40-56(50)62-61(55(49)39-47)71-63-64(72-62)66(42-30-34-54-52-26-14-16-28-58(52)68(60(54)38-42,45-21-9-3-10-22-45)46-23-11-4-12-24-46)73-65(63)41-29-33-53-51-25-13-15-27-57(51)67(59(53)37-41,43-17-5-1-6-18-43)44-19-7-2-8-20-44;55-33-21-25-37-38-26-22-34(56)30-44(38)50-49(43(37)29-33)57-51-52(58-50)54(32-20-24-42-40-16-8-10-18-46(40)60(48(42)28-32)36-13-5-2-6-14-36)61-53(51)31-19-23-41-39-15-7-9-17-45(39)59(47(41)27-31)35-11-3-1-4-12-35;2*43-21-15-17-23-24-18-16-22(44)20-32(24)36-35(31(23)19-21)45-37-38(46-36)42(30-12-6-10-28-26-8-2-4-14-34(26)48-40(28)30)49-41(37)29-11-5-9-27-25-7-1-3-13-33(25)47-39(27)29;;/h5-52H,1-4H2;1-36H;1-40H;1-30H;2*1-20H;2*1H4.

What are the key properties of 17-[9,9-bis(4-ethenoxyphenyl)fluoren-4-yl]-19-[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-4,11-dibromo-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9,9-diphenylfluoren-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9,9'-spirobi[fluorene]-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-di(dibenzofuran-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-di(dibenzothiophen-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;methane?

17-[9,9-bis(4-ethenoxyphenyl)fluoren-4-yl]-19-[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-4,11-dibromo-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9,9-diphenylfluoren-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9,9'-spirobi[fluorene]-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-di(dibenzofuran-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-di(dibenzothiophen-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;methane has a molecular weight of 6091.16 g/mol, XLogP of 108.11, 32 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 17-[9,9-bis(4-ethenoxyphenyl)fluoren-4-yl]-19-[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-4,11-dibromo-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9,9-diphenylfluoren-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-bis(9,9'-spirobi[fluorene]-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-di(dibenzofuran-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-dibromo-17,19-di(dibenzothiophen-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;methane is sourced from PubChem (CID 160802477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).