17,19-bis(9,9-dimethylfluoren-4-yl)-4,11-bis(9,9'-spirobi[fluorene]-3-yloxy)-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-diphenylfluoren-4-yl)-5,10-bis(9-phenylcarbazol-3-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;17,19-bis(9,9-diphenylfluoren-4-yl)-5,10-bis[9-(9,9'-spirobi[fluorene]-4-yl)carbazol-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;5,10-di(carbazol-9-yl)-17,19-bis(9,9-diphenylfluoren-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;5,10-di(dibenzofuran-1-yl)-17,19-bis(9,9-diphenylfluoren-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

C528H320N16O4S5 — CID 158614822

About 17,19-bis(9,9-dimethylfluoren-4-yl)-4,11-bis(9,9'-spirobi[fluorene]-3-yloxy)-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-diphenylfluoren-4-yl)-5,10-bis(9-phenylcarbazol-3-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;17,19-bis(9,9-diphenylfluoren-4-yl)-5,10-bis[9-(9,9'-spirobi[fluorene]-4-yl)carbazol-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;5,10-di(carbazol-9-yl)-17,19-bis(9,9-diphenylfluoren-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;5,10-di(dibenzofuran-1-yl)-17,19-bis(9,9-diphenylfluoren-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

17,19-bis(9,9-dimethylfluoren-4-yl)-4,11-bis(9,9'-spirobi[fluorene]-3-yloxy)-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-diphenylfluoren-4-yl)-5,10-bis(9-phenylcarbazol-3-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;17,19-bis(9,9-diphenylfluoren-4-yl)-5,10-bis[9-(9,9'-spirobi[fluorene]-4-yl)carbazol-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;5,10-di(carbazol-9-yl)-17,19-bis(9,9-diphenylfluoren-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;5,10-di(dibenzofuran-1-yl)-17,19-bis(9,9-diphenylfluoren-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 (PubChem CID 158614822) has the molecular formula C528H320N16O4S5 and a molecular weight of 7112.81 g/mol. Its IUPAC name is 17,19-bis(9,9-dimethylfluoren-4-yl)-4,11-bis(9,9'-spirobi[fluorene]-3-yloxy)-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-diphenylfluoren-4-yl)-5,10-bis(9-phenylcarbazol-3-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;17,19-bis(9,9-diphenylfluoren-4-yl)-5,10-bis[9-(9,9'-spirobi[fluorene]-4-yl)carbazol-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;5,10-di(carbazol-9-yl)-17,19-bis(9,9-diphenylfluoren-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;5,10-di(dibenzofuran-1-yl)-17,19-bis(9,9-diphenylfluoren-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.

Molecular Properties

• Compound Name: 17,19-bis(9,9-dimethylfluoren-4-yl)-4,11-bis(9,9'-spirobi[fluorene]-3-yloxy)-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-diphenylfluoren-4-yl)-5,10-bis(9-phenylcarbazol-3-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;17,19-bis(9,9-diphenylfluoren-4-yl)-5,10-bis[9-(9,9'-spirobi[fluorene]-4-yl)carbazol-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;5,10-di(carbazol-9-yl)-17,19-bis(9,9-diphenylfluoren-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;5,10-di(dibenzofuran-1-yl)-17,19-bis(9,9-diphenylfluoren-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
• PubChem CID: 158614822
• Molecular Formula: C528H320N16O4S5
• Molecular Weight: 7112.81 g/mol
• Exact Mass: 7106.39
• IUPAC Name: 17,19-bis(9,9-dimethylfluoren-4-yl)-4,11-bis(9,9'-spirobi[fluorene]-3-yloxy)-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-diphenylfluoren-4-yl)-5,10-bis(9-phenylcarbazol-3-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;17,19-bis(9,9-diphenylfluoren-4-yl)-5,10-bis[9-(9,9'-spirobi[fluorene]-4-yl)carbazol-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;5,10-di(carbazol-9-yl)-17,19-bis(9,9-diphenylfluoren-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;5,10-di(dibenzofuran-1-yl)-17,19-bis(9,9-diphenylfluoren-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
• SMILES: CC1(C)c2ccccc2-c2c(-c3sc(-c4cccc5c4-c4ccccc4C5(C)C)c4nc5c6cc(Oc7ccc8c(c7)-c7ccccc7C87c8ccccc8-c8ccccc87)ccc6c6ccc(Oc7ccc8c(c7)-c7ccccc7C87c8ccccc8-c8ccccc87)cc6c5nc34)cccc21.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4c4nc6c(-c7cccc8c7-c7ccccc7C8(c7ccccc7)c7ccccc7)sc(-c7cccc8c7-c7ccccc7C8(c7ccccc7)c7ccccc7)c6nc54)ccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4sc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c5nc6c7ccc(-c8cccc9c8c8ccccc8n9-c8cccc9c8-c8ccccc8C98c9ccccc9-c9ccccc98)cc7c7cc(-c8cccc9c8c8ccccc8n9-c8cccc9c8-c8ccccc8C98c9ccccc9-c9ccccc98)ccc7c6nc45)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4sc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c5nc6c7ccc(-c8cccc9oc%10ccccc%10c89)cc7c7cc(-c8cccc9oc%10ccccc%10c89)ccc7c6nc45)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4sc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c5nc6c7ccc(-n8c9ccccc9c9ccccc98)cc7c7cc(-n8c9ccccc9c9ccccc98)ccc7c6nc45)cccc32)cc1
• InChI: InChI=1S/C142H84N4S.C104H64N4S.C98H62N2O2S.C92H56N4S.C92H54N2O2S/c1-5-39-87(40-6-1)139(88-41-7-2-8-42-88)113-65-27-17-51-99(113)127-105(59-33-69-117(127)139)137-135-136(138(147-137)106-60-34-70-118-128(106)100-52-18-28-66-114(100)140(118,89-43-9-3-10-44-89)90-45-11-4-12-46-90)144-134-98-82-80-86(92-58-36-76-124-130(92)104-56-22-32-74-122(104)146(124)126-78-38-72-120-132(126)102-54-20-30-68-116(102)142(120)111-63-25-15-49-95(111)96-50-16-26-64-112(96)142)84-108(98)107-83-85(79-81-97(107)133(134)143-135)91-57-35-75-123-129(91)103-55-21-31-73-121(103)145(123)125-77-37-71-119-131(125)101-53-19-29-67-115(101)141(119)109-61-23-13-47-93(109)94-48-14-24-62-110(94)141;1-7-29-69(30-8-1)103(70-31-9-2-10-32-70)87-47-23-19-43-79(87)95-81(45-27-49-89(95)103)101-99-100(102(109-101)82-46-28-50-90-96(82)80-44-20-24-48-88(80)104(90,71-33-11-3-12-34-71)72-35-13-4-14-36-72)106-98-78-58-54-66(68-56-60-94-86(64-68)76-42-22-26-52-92(76)108(94)74-39-17-6-18-40-74)62-84(78)83-61-65(53-57-77(83)97(98)105-99)67-55-59-93-85(63-67)75-41-21-25-51-91(75)107(93)73-37-15-5-16-38-73;1-95(2)75-33-13-11-29-67(75)87-69(31-21-41-85(87)95)93-91-92(94(103-93)70-32-22-42-86-88(70)68-30-12-14-34-76(68)96(86,3)4)100-90-74-54-56(102-58-46-50-84-72(52-58)66-28-10-20-40-82(66)98(84)79-37-17-7-25-63(79)64-26-8-18-38-80(64)98)44-48-60(74)59-47-43-55(53-73(59)89(90)99-91)101-57-45-49-83-71(51-57)65-27-9-19-39-81(65)97(83)77-35-15-5-23-61(77)62-24-6-16-36-78(62)97;1-5-27-57(28-6-1)91(58-29-7-2-8-30-58)75-43-19-13-39-69(75)83-71(41-25-45-77(83)91)89-87-88(90(97-89)72-42-26-46-78-84(72)70-40-14-20-44-76(70)92(78,59-31-9-3-10-32-59)60-33-11-4-12-34-60)94-86-68-54-52-62(96-81-49-23-17-37-65(81)66-38-18-24-50-82(66)96)56-74(68)73-55-61(51-53-67(73)85(86)93-87)95-79-47-21-15-35-63(79)64-36-16-22-48-80(64)95;1-5-25-57(26-6-1)91(58-27-7-2-8-28-58)73-41-17-13-33-65(73)81-69(39-21-43-75(81)91)89-87-88(90(97-89)70-40-22-44-76-82(70)66-34-14-18-42-74(66)92(76,59-29-9-3-10-30-59)60-31-11-4-12-32-60)94-86-64-52-50-56(62-38-24-48-80-84(62)68-36-16-20-46-78(68)96-80)54-72(64)71-53-55(49-51-63(71)85(86)93-87)61-37-23-47-79-83(61)67-35-15-19-45-77(67)95-79/h1-84H;1-64H;5-54H,1-4H3;1-56H;1-54H
• InChIKey: HXGMGCUXGRVSNY-UHFFFAOYSA-N
• XLogP: 135.28
• TPSA: 203.22 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 42
• Heavy Atoms: 553
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	7112.81
LogP ≤ 5	135.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 17,19-bis(9,9-dimethylfluoren-4-yl)-4,11-bis(9,9'-spirobi[fluorene]-3-yloxy)-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-diphenylfluoren-4-yl)-5,10-bis(9-phenylcarbazol-3-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;17,19-bis(9,9-diphenylfluoren-4-yl)-5,10-bis[9-(9,9'-spirobi[fluorene]-4-yl)carbazol-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;5,10-di(carbazol-9-yl)-17,19-bis(9,9-diphenylfluoren-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;5,10-di(dibenzofuran-1-yl)-17,19-bis(9,9-diphenylfluoren-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?

The IUPAC name of 17,19-bis(9,9-dimethylfluoren-4-yl)-4,11-bis(9,9'-spirobi[fluorene]-3-yloxy)-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-diphenylfluoren-4-yl)-5,10-bis(9-phenylcarbazol-3-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;17,19-bis(9,9-diphenylfluoren-4-yl)-5,10-bis[9-(9,9'-spirobi[fluorene]-4-yl)carbazol-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;5,10-di(carbazol-9-yl)-17,19-bis(9,9-diphenylfluoren-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;5,10-di(dibenzofuran-1-yl)-17,19-bis(9,9-diphenylfluoren-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 (CID 158614822) is 17,19-bis(9,9-dimethylfluoren-4-yl)-4,11-bis(9,9'-spirobi[fluorene]-3-yloxy)-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-diphenylfluoren-4-yl)-5,10-bis(9-phenylcarbazol-3-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;17,19-bis(9,9-diphenylfluoren-4-yl)-5,10-bis[9-(9,9'-spirobi[fluorene]-4-yl)carbazol-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;5,10-di(carbazol-9-yl)-17,19-bis(9,9-diphenylfluoren-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;5,10-di(dibenzofuran-1-yl)-17,19-bis(9,9-diphenylfluoren-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.

What is the SMILES notation for 17,19-bis(9,9-dimethylfluoren-4-yl)-4,11-bis(9,9'-spirobi[fluorene]-3-yloxy)-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-diphenylfluoren-4-yl)-5,10-bis(9-phenylcarbazol-3-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;17,19-bis(9,9-diphenylfluoren-4-yl)-5,10-bis[9-(9,9'-spirobi[fluorene]-4-yl)carbazol-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;5,10-di(carbazol-9-yl)-17,19-bis(9,9-diphenylfluoren-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;5,10-di(dibenzofuran-1-yl)-17,19-bis(9,9-diphenylfluoren-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?

The canonical SMILES for 17,19-bis(9,9-dimethylfluoren-4-yl)-4,11-bis(9,9'-spirobi[fluorene]-3-yloxy)-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-diphenylfluoren-4-yl)-5,10-bis(9-phenylcarbazol-3-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;17,19-bis(9,9-diphenylfluoren-4-yl)-5,10-bis[9-(9,9'-spirobi[fluorene]-4-yl)carbazol-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;5,10-di(carbazol-9-yl)-17,19-bis(9,9-diphenylfluoren-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;5,10-di(dibenzofuran-1-yl)-17,19-bis(9,9-diphenylfluoren-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 is CC1(C)c2ccccc2-c2c(-c3sc(-c4cccc5c4-c4ccccc4C5(C)C)c4nc5c6cc(Oc7ccc8c(c7)-c7ccccc7C87c8ccccc8-c8ccccc87)ccc6c6ccc(Oc7ccc8c(c7)-c7ccccc7C87c8ccccc8-c8ccccc87)cc6c5nc34)cccc21.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4c4nc6c(-c7cccc8c7-c7ccccc7C8(c7ccccc7)c7ccccc7)sc(-c7cccc8c7-c7ccccc7C8(c7ccccc7)c7ccccc7)c6nc54)ccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4sc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c5nc6c7ccc(-c8cccc9c8c8ccccc8n9-c8cccc9c8-c8ccccc8C98c9ccccc9-c9ccccc98)cc7c7cc(-c8cccc9c8c8ccccc8n9-c8cccc9c8-c8ccccc8C98c9ccccc9-c9ccccc98)ccc7c6nc45)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4sc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c5nc6c7ccc(-c8cccc9oc%10ccccc%10c89)cc7c7cc(-c8cccc9oc%10ccccc%10c89)ccc7c6nc45)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4sc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c5nc6c7ccc(-n8c9ccccc9c9ccccc98)cc7c7cc(-n8c9ccccc9c9ccccc98)ccc7c6nc45)cccc32)cc1.

What is the InChIKey of 17,19-bis(9,9-dimethylfluoren-4-yl)-4,11-bis(9,9'-spirobi[fluorene]-3-yloxy)-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-diphenylfluoren-4-yl)-5,10-bis(9-phenylcarbazol-3-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;17,19-bis(9,9-diphenylfluoren-4-yl)-5,10-bis[9-(9,9'-spirobi[fluorene]-4-yl)carbazol-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;5,10-di(carbazol-9-yl)-17,19-bis(9,9-diphenylfluoren-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;5,10-di(dibenzofuran-1-yl)-17,19-bis(9,9-diphenylfluoren-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?

The InChIKey is HXGMGCUXGRVSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C142H84N4S.C104H64N4S.C98H62N2O2S.C92H56N4S.C92H54N2O2S/c1-5-39-87(40-6-1)139(88-41-7-2-8-42-88)113-65-27-17-51-99(113)127-105(59-33-69-117(127)139)137-135-136(138(147-137)106-60-34-70-118-128(106)100-52-18-28-66-114(100)140(118,89-43-9-3-10-44-89)90-45-11-4-12-46-90)144-134-98-82-80-86(92-58-36-76-124-130(92)104-56-22-32-74-122(104)146(124)126-78-38-72-120-132(126)102-54-20-30-68-116(102)142(120)111-63-25-15-49-95(111)96-50-16-26-64-112(96)142)84-108(98)107-83-85(79-81-97(107)133(134)143-135)91-57-35-75-123-129(91)103-55-21-31-73-121(103)145(123)125-77-37-71-119-131(125)101-53-19-29-67-115(101)141(119)109-61-23-13-47-93(109)94-48-14-24-62-110(94)141;1-7-29-69(30-8-1)103(70-31-9-2-10-32-70)87-47-23-19-43-79(87)95-81(45-27-49-89(95)103)101-99-100(102(109-101)82-46-28-50-90-96(82)80-44-20-24-48-88(80)104(90,71-33-11-3-12-34-71)72-35-13-4-14-36-72)106-98-78-58-54-66(68-56-60-94-86(64-68)76-42-22-26-52-92(76)108(94)74-39-17-6-18-40-74)62-84(78)83-61-65(53-57-77(83)97(98)105-99)67-55-59-93-85(63-67)75-41-21-25-51-91(75)107(93)73-37-15-5-16-38-73;1-95(2)75-33-13-11-29-67(75)87-69(31-21-41-85(87)95)93-91-92(94(103-93)70-32-22-42-86-88(70)68-30-12-14-34-76(68)96(86,3)4)100-90-74-54-56(102-58-46-50-84-72(52-58)66-28-10-20-40-82(66)98(84)79-37-17-7-25-63(79)64-26-8-18-38-80(64)98)44-48-60(74)59-47-43-55(53-73(59)89(90)99-91)101-57-45-49-83-71(51-57)65-27-9-19-39-81(65)97(83)77-35-15-5-23-61(77)62-24-6-16-36-78(62)97;1-5-27-57(28-6-1)91(58-29-7-2-8-30-58)75-43-19-13-39-69(75)83-71(41-25-45-77(83)91)89-87-88(90(97-89)72-42-26-46-78-84(72)70-40-14-20-44-76(70)92(78,59-31-9-3-10-32-59)60-33-11-4-12-34-60)94-86-68-54-52-62(96-81-49-23-17-37-65(81)66-38-18-24-50-82(66)96)56-74(68)73-55-61(51-53-67(73)85(86)93-87)95-79-47-21-15-35-63(79)64-36-16-22-48-80(64)95;1-5-25-57(26-6-1)91(58-27-7-2-8-28-58)73-41-17-13-33-65(73)81-69(39-21-43-75(81)91)89-87-88(90(97-89)70-40-22-44-76-82(70)66-34-14-18-42-74(66)92(76,59-29-9-3-10-30-59)60-31-11-4-12-32-60)94-86-64-52-50-56(62-38-24-48-80-84(62)68-36-16-20-46-78(68)96-80)54-72(64)71-53-55(49-51-63(71)85(86)93-87)61-37-23-47-79-83(61)67-35-15-19-45-77(67)95-79/h1-84H;1-64H;5-54H,1-4H3;1-56H;1-54H.

What are the key properties of 17,19-bis(9,9-dimethylfluoren-4-yl)-4,11-bis(9,9'-spirobi[fluorene]-3-yloxy)-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-diphenylfluoren-4-yl)-5,10-bis(9-phenylcarbazol-3-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;17,19-bis(9,9-diphenylfluoren-4-yl)-5,10-bis[9-(9,9'-spirobi[fluorene]-4-yl)carbazol-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;5,10-di(carbazol-9-yl)-17,19-bis(9,9-diphenylfluoren-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;5,10-di(dibenzofuran-1-yl)-17,19-bis(9,9-diphenylfluoren-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?

17,19-bis(9,9-dimethylfluoren-4-yl)-4,11-bis(9,9'-spirobi[fluorene]-3-yloxy)-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-diphenylfluoren-4-yl)-5,10-bis(9-phenylcarbazol-3-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;17,19-bis(9,9-diphenylfluoren-4-yl)-5,10-bis[9-(9,9'-spirobi[fluorene]-4-yl)carbazol-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;5,10-di(carbazol-9-yl)-17,19-bis(9,9-diphenylfluoren-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;5,10-di(dibenzofuran-1-yl)-17,19-bis(9,9-diphenylfluoren-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 has a molecular weight of 7112.81 g/mol, XLogP of 135.28, 42 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 17,19-bis(9,9-dimethylfluoren-4-yl)-4,11-bis(9,9'-spirobi[fluorene]-3-yloxy)-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-diphenylfluoren-4-yl)-5,10-bis(9-phenylcarbazol-3-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;17,19-bis(9,9-diphenylfluoren-4-yl)-5,10-bis[9-(9,9'-spirobi[fluorene]-4-yl)carbazol-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;5,10-di(carbazol-9-yl)-17,19-bis(9,9-diphenylfluoren-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;5,10-di(dibenzofuran-1-yl)-17,19-bis(9,9-diphenylfluoren-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 is sourced from PubChem (CID 158614822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).