17,19-bis(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-4,11-bis[(2-methylpropan-2-yl)oxy]-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;17,19-bis(9,9-dimethylfluoren-4-yl)-4,11-diethoxy-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;17,19-di(dibenzofuran-2-yl)-4,11-diphenyl-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;17,19-di(dibenzothiophen-3-yl)-4,11-diphenyl-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-diphenyl-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;11-isocyano-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-carbonitrile

C388H264N16O6S8 — CID 159114378

About 17,19-bis(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-4,11-bis[(2-methylpropan-2-yl)oxy]-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;17,19-bis(9,9-dimethylfluoren-4-yl)-4,11-diethoxy-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;17,19-di(dibenzofuran-2-yl)-4,11-diphenyl-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;17,19-di(dibenzothiophen-3-yl)-4,11-diphenyl-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-diphenyl-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;11-isocyano-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-carbonitrile

17,19-bis(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-4,11-bis[(2-methylpropan-2-yl)oxy]-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;17,19-bis(9,9-dimethylfluoren-4-yl)-4,11-diethoxy-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;17,19-di(dibenzofuran-2-yl)-4,11-diphenyl-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;17,19-di(dibenzothiophen-3-yl)-4,11-diphenyl-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-diphenyl-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;11-isocyano-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-carbonitrile (PubChem CID 159114378) has the molecular formula C388H264N16O6S8 and a molecular weight of 5503.02 g/mol. Its IUPAC name is 17,19-bis(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-4,11-bis[(2-methylpropan-2-yl)oxy]-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;17,19-bis(9,9-dimethylfluoren-4-yl)-4,11-diethoxy-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;17,19-di(dibenzofuran-2-yl)-4,11-diphenyl-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;17,19-di(dibenzothiophen-3-yl)-4,11-diphenyl-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-diphenyl-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;11-isocyano-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-carbonitrile.

Molecular Properties

• Compound Name: 17,19-bis(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-4,11-bis[(2-methylpropan-2-yl)oxy]-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;17,19-bis(9,9-dimethylfluoren-4-yl)-4,11-diethoxy-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;17,19-di(dibenzofuran-2-yl)-4,11-diphenyl-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;17,19-di(dibenzothiophen-3-yl)-4,11-diphenyl-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-diphenyl-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;11-isocyano-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-carbonitrile
• PubChem CID: 159114378
• Molecular Formula: C388H264N16O6S8
• Molecular Weight: 5503.02 g/mol
• Exact Mass: 5497.86
• IUPAC Name: 17,19-bis(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-4,11-bis[(2-methylpropan-2-yl)oxy]-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;17,19-bis(9,9-dimethylfluoren-4-yl)-4,11-diethoxy-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;17,19-di(dibenzofuran-2-yl)-4,11-diphenyl-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;17,19-di(dibenzothiophen-3-yl)-4,11-diphenyl-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-diphenyl-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;11-isocyano-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-carbonitrile
• SMILES: CC(C)(C)Oc1ccc2c3ccc(OC(C)(C)C)cc3c3nc4c(-c5cccc6c5-c5ccccc5C65c6cc(C(C)(C)C)ccc6-c6ccc(C(C)(C)C)cc65)sc(-c5cccc6c5-c5ccccc5C65c6cc(C(C)(C)C)ccc6-c6ccc(C(C)(C)C)cc65)c4nc3c2c1.CCOc1ccc2c3ccc(OCC)cc3c3nc4c(-c5cccc6c5-c5ccccc5C6(C)C)sc(-c5cccc6c5-c5ccccc5C6(C)C)c4nc3c2c1.[C-]#[N+]c1ccc2c3ccc(C#N)cc3c3nc4c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)sc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4nc3c2c1.c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4c4nc5c(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)sc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)c5nc4c3c2)cc1.c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4c4nc5c(-c6ccc7c(c6)sc6ccccc67)sc(-c6ccc7c(c6)sc6ccccc67)c5nc4c3c2)cc1.c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4c4nc5c(-c6ccc7oc8ccccc8c7c6)sc(-c6ccc7oc8ccccc8c7c6)c5nc4c3c2)cc1
• InChI: InChI=1S/C92H86N2O2S.C80H46N2S.C56H30N6S.C54H30N2O2S.C54H30N2S3.C52H42N2O2S/c1-85(2,3)51-33-39-59-60-40-34-52(86(4,5)6)46-74(60)91(73(59)45-51)69-29-21-19-25-63(69)77-65(27-23-31-71(77)91)83-81-82(94-80-68-50-56(96-90(16,17)18)38-44-58(68)57-43-37-55(95-89(13,14)15)49-67(57)79(80)93-81)84(97-83)66-28-24-32-72-78(66)64-26-20-22-30-70(64)92(72)75-47-53(87(7,8)9)35-41-61(75)62-42-36-54(48-76(62)92)88(10,11)12;1-3-19-47(20-4-1)49-35-39-53-54-40-36-50(48-21-5-2-6-22-48)44-64(54)74-73(63(53)43-49)81-75-76(82-74)78(52-38-42-62-60-28-12-18-34-70(60)80(72(62)46-52)67-31-15-9-25-57(67)58-26-10-16-32-68(58)80)83-77(75)51-37-41-61-59-27-11-17-33-69(59)79(71(61)45-51)65-29-13-7-23-55(65)56-24-8-14-30-66(56)79;1-58-36-23-27-40-39-24-20-33(32-57)28-45(39)51-52(46(40)31-36)60-54-53(59-51)55(34-21-25-43-41-16-8-10-18-47(41)61(49(43)29-34)37-12-4-2-5-13-37)63-56(54)35-22-26-44-42-17-9-11-19-48(42)62(50(44)30-35)38-14-6-3-7-15-38;1-3-11-31(12-4-1)33-19-23-37-38-24-20-34(32-13-5-2-6-14-32)28-44(38)50-49(43(37)27-33)55-51-52(56-50)54(36-22-26-48-42(30-36)40-16-8-10-18-46(40)58-48)59-53(51)35-21-25-47-41(29-35)39-15-7-9-17-45(39)57-47;1-3-11-31(12-4-1)33-19-23-37-38-24-20-34(32-13-5-2-6-14-32)28-44(38)50-49(43(37)27-33)55-51-52(56-50)54(36-22-26-42-40-16-8-10-18-46(40)58-48(42)30-36)59-53(51)35-21-25-41-39-15-7-9-17-45(39)57-47(41)29-35;1-7-55-29-23-25-31-32-26-24-30(56-8-2)28-38(32)46-45(37(31)27-29)53-47-48(54-46)50(36-18-14-22-42-44(36)34-16-10-12-20-40(34)52(42,5)6)57-49(47)35-17-13-21-41-43(35)33-15-9-11-19-39(33)51(41,3)4/h19-50H,1-18H3;1-46H;2-31H;2*1-30H;9-28H,7-8H2,1-6H3
• InChIKey: KEWZENUJENIFHC-UHFFFAOYSA-N
• XLogP: 106.39
• TPSA: 255.89 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 26
• Heavy Atoms: 418
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5503.02
LogP ≤ 5	106.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 17,19-bis(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-4,11-bis[(2-methylpropan-2-yl)oxy]-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;17,19-bis(9,9-dimethylfluoren-4-yl)-4,11-diethoxy-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;17,19-di(dibenzofuran-2-yl)-4,11-diphenyl-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;17,19-di(dibenzothiophen-3-yl)-4,11-diphenyl-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-diphenyl-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;11-isocyano-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-carbonitrile?

The IUPAC name of 17,19-bis(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-4,11-bis[(2-methylpropan-2-yl)oxy]-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;17,19-bis(9,9-dimethylfluoren-4-yl)-4,11-diethoxy-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;17,19-di(dibenzofuran-2-yl)-4,11-diphenyl-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;17,19-di(dibenzothiophen-3-yl)-4,11-diphenyl-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-diphenyl-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;11-isocyano-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-carbonitrile (CID 159114378) is 17,19-bis(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-4,11-bis[(2-methylpropan-2-yl)oxy]-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;17,19-bis(9,9-dimethylfluoren-4-yl)-4,11-diethoxy-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;17,19-di(dibenzofuran-2-yl)-4,11-diphenyl-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;17,19-di(dibenzothiophen-3-yl)-4,11-diphenyl-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-diphenyl-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;11-isocyano-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-carbonitrile.

What is the SMILES notation for 17,19-bis(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-4,11-bis[(2-methylpropan-2-yl)oxy]-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;17,19-bis(9,9-dimethylfluoren-4-yl)-4,11-diethoxy-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;17,19-di(dibenzofuran-2-yl)-4,11-diphenyl-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;17,19-di(dibenzothiophen-3-yl)-4,11-diphenyl-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-diphenyl-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;11-isocyano-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-carbonitrile?

The canonical SMILES for 17,19-bis(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-4,11-bis[(2-methylpropan-2-yl)oxy]-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;17,19-bis(9,9-dimethylfluoren-4-yl)-4,11-diethoxy-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;17,19-di(dibenzofuran-2-yl)-4,11-diphenyl-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;17,19-di(dibenzothiophen-3-yl)-4,11-diphenyl-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-diphenyl-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;11-isocyano-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-carbonitrile is CC(C)(C)Oc1ccc2c3ccc(OC(C)(C)C)cc3c3nc4c(-c5cccc6c5-c5ccccc5C65c6cc(C(C)(C)C)ccc6-c6ccc(C(C)(C)C)cc65)sc(-c5cccc6c5-c5ccccc5C65c6cc(C(C)(C)C)ccc6-c6ccc(C(C)(C)C)cc65)c4nc3c2c1.CCOc1ccc2c3ccc(OCC)cc3c3nc4c(-c5cccc6c5-c5ccccc5C6(C)C)sc(-c5cccc6c5-c5ccccc5C6(C)C)c4nc3c2c1.[C-]#[N+]c1ccc2c3ccc(C#N)cc3c3nc4c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)sc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4nc3c2c1.c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4c4nc5c(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)sc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)c5nc4c3c2)cc1.c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4c4nc5c(-c6ccc7c(c6)sc6ccccc67)sc(-c6ccc7c(c6)sc6ccccc67)c5nc4c3c2)cc1.c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4c4nc5c(-c6ccc7oc8ccccc8c7c6)sc(-c6ccc7oc8ccccc8c7c6)c5nc4c3c2)cc1.

What is the InChIKey of 17,19-bis(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-4,11-bis[(2-methylpropan-2-yl)oxy]-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;17,19-bis(9,9-dimethylfluoren-4-yl)-4,11-diethoxy-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;17,19-di(dibenzofuran-2-yl)-4,11-diphenyl-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;17,19-di(dibenzothiophen-3-yl)-4,11-diphenyl-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-diphenyl-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;11-isocyano-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-carbonitrile?

The InChIKey is KEWZENUJENIFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H86N2O2S.C80H46N2S.C56H30N6S.C54H30N2O2S.C54H30N2S3.C52H42N2O2S/c1-85(2,3)51-33-39-59-60-40-34-52(86(4,5)6)46-74(60)91(73(59)45-51)69-29-21-19-25-63(69)77-65(27-23-31-71(77)91)83-81-82(94-80-68-50-56(96-90(16,17)18)38-44-58(68)57-43-37-55(95-89(13,14)15)49-67(57)79(80)93-81)84(97-83)66-28-24-32-72-78(66)64-26-20-22-30-70(64)92(72)75-47-53(87(7,8)9)35-41-61(75)62-42-36-54(48-76(62)92)88(10,11)12;1-3-19-47(20-4-1)49-35-39-53-54-40-36-50(48-21-5-2-6-22-48)44-64(54)74-73(63(53)43-49)81-75-76(82-74)78(52-38-42-62-60-28-12-18-34-70(60)80(72(62)46-52)67-31-15-9-25-57(67)58-26-10-16-32-68(58)80)83-77(75)51-37-41-61-59-27-11-17-33-69(59)79(71(61)45-51)65-29-13-7-23-55(65)56-24-8-14-30-66(56)79;1-58-36-23-27-40-39-24-20-33(32-57)28-45(39)51-52(46(40)31-36)60-54-53(59-51)55(34-21-25-43-41-16-8-10-18-47(41)61(49(43)29-34)37-12-4-2-5-13-37)63-56(54)35-22-26-44-42-17-9-11-19-48(42)62(50(44)30-35)38-14-6-3-7-15-38;1-3-11-31(12-4-1)33-19-23-37-38-24-20-34(32-13-5-2-6-14-32)28-44(38)50-49(43(37)27-33)55-51-52(56-50)54(36-22-26-48-42(30-36)40-16-8-10-18-46(40)58-48)59-53(51)35-21-25-47-41(29-35)39-15-7-9-17-45(39)57-47;1-3-11-31(12-4-1)33-19-23-37-38-24-20-34(32-13-5-2-6-14-32)28-44(38)50-49(43(37)27-33)55-51-52(56-50)54(36-22-26-42-40-16-8-10-18-46(40)58-48(42)30-36)59-53(51)35-21-25-41-39-15-7-9-17-45(39)57-47(41)29-35;1-7-55-29-23-25-31-32-26-24-30(56-8-2)28-38(32)46-45(37(31)27-29)53-47-48(54-46)50(36-18-14-22-42-44(36)34-16-10-12-20-40(34)52(42,5)6)57-49(47)35-17-13-21-41-43(35)33-15-9-11-19-39(33)51(41,3)4/h19-50H,1-18H3;1-46H;2-31H;2*1-30H;9-28H,7-8H2,1-6H3.

What are the key properties of 17,19-bis(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-4,11-bis[(2-methylpropan-2-yl)oxy]-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;17,19-bis(9,9-dimethylfluoren-4-yl)-4,11-diethoxy-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;17,19-di(dibenzofuran-2-yl)-4,11-diphenyl-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;17,19-di(dibenzothiophen-3-yl)-4,11-diphenyl-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-diphenyl-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;11-isocyano-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-carbonitrile?

17,19-bis(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-4,11-bis[(2-methylpropan-2-yl)oxy]-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;17,19-bis(9,9-dimethylfluoren-4-yl)-4,11-diethoxy-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;17,19-di(dibenzofuran-2-yl)-4,11-diphenyl-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;17,19-di(dibenzothiophen-3-yl)-4,11-diphenyl-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-diphenyl-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;11-isocyano-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-carbonitrile has a molecular weight of 5503.02 g/mol, XLogP of 106.39, 26 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 17,19-bis(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-4,11-bis[(2-methylpropan-2-yl)oxy]-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;17,19-bis(9,9-dimethylfluoren-4-yl)-4,11-diethoxy-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;17,19-di(dibenzofuran-2-yl)-4,11-diphenyl-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;17,19-di(dibenzothiophen-3-yl)-4,11-diphenyl-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-diphenyl-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;11-isocyano-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-carbonitrile is sourced from PubChem (CID 159114378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).