17,19-bis(9,9-diphenylfluoren-2-yl)-11-isocyano-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(9,9-diphenylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene;17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene;17,19-di(dibenzofuran-4-yl)-11-isocyano-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;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;11-isocyano-17,19-bis(9,9'-spirobi[fluorene]-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-carbonitrile

C376H206N22O2S6 — CID 158971453

About 17,19-bis(9,9-diphenylfluoren-2-yl)-11-isocyano-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(9,9-diphenylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene;17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene;17,19-di(dibenzofuran-4-yl)-11-isocyano-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;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;11-isocyano-17,19-bis(9,9'-spirobi[fluorene]-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-carbonitrile

17,19-bis(9,9-diphenylfluoren-2-yl)-11-isocyano-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(9,9-diphenylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene;17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene;17,19-di(dibenzofuran-4-yl)-11-isocyano-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;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;11-isocyano-17,19-bis(9,9'-spirobi[fluorene]-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-carbonitrile (PubChem CID 158971453) has the molecular formula C376H206N22O2S6 and a molecular weight of 5256.34 g/mol. Its IUPAC name is 17,19-bis(9,9-diphenylfluoren-2-yl)-11-isocyano-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(9,9-diphenylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene;17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene;17,19-di(dibenzofuran-4-yl)-11-isocyano-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;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;11-isocyano-17,19-bis(9,9'-spirobi[fluorene]-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-carbonitrile.

Molecular Properties

• Compound Name: 17,19-bis(9,9-diphenylfluoren-2-yl)-11-isocyano-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(9,9-diphenylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene;17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene;17,19-di(dibenzofuran-4-yl)-11-isocyano-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;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;11-isocyano-17,19-bis(9,9'-spirobi[fluorene]-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-carbonitrile
• PubChem CID: 158971453
• Molecular Formula: C376H206N22O2S6
• Molecular Weight: 5256.34 g/mol
• Exact Mass: 5251.50
• IUPAC Name: 17,19-bis(9,9-diphenylfluoren-2-yl)-11-isocyano-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(9,9-diphenylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene;17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene;17,19-di(dibenzofuran-4-yl)-11-isocyano-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;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;11-isocyano-17,19-bis(9,9'-spirobi[fluorene]-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-carbonitrile
• SMILES: [C-]#[N+]c1ccc2c3ccc(C#N)cc3c3nc4c(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)sc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4nc3c2c1.[C-]#[N+]c1ccc2c3ccc(C#N)cc3c3nc4c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)sc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4nc3c2c1.[C-]#[N+]c1ccc2c3ccc(C#N)cc3c3nc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)sc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4nc3c2c1.[C-]#[N+]c1ccc2c3ccc(C#N)cc3c3nc4c(-c5cccc6c5oc5ccccc56)sc(-c5cccc6c5oc5ccccc56)c4nc3c2c1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4sc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c5nc6c7ccccc7c7ccccc7c6nc45)cccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(-c3sc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c4nc5c6ccccc6c6ccccc6c5nc34)cccc21
• InChI: InChI=1S/C70H36N4S.C70H40N4S.C68H38N2S.C68H42N2S.C56H30N6S.C44H20N4O2S/c1-72-40-33-35-42-41-34-32-39(38-71)36-51(41)63-64(52(42)37-40)74-66-65(73-63)67(49-22-14-30-59-61(49)47-20-6-12-28-57(47)69(59)53-24-8-2-16-43(53)44-17-3-9-25-54(44)69)75-68(66)50-23-15-31-60-62(50)48-21-7-13-29-58(48)70(60)55-26-10-4-18-45(55)46-19-5-11-27-56(46)70;1-72-50-33-37-52-51-34-30-43(42-71)38-57(51)63-64(58(52)41-50)74-66-65(73-63)67(44-31-35-55-53-26-14-16-28-59(53)69(61(55)39-44,46-18-6-2-7-19-46)47-20-8-3-9-21-47)75-68(66)45-32-36-56-54-27-15-17-29-60(54)70(62(56)40-45,48-22-10-4-11-23-48)49-24-12-5-13-25-49;1-3-25-45-39(19-1)40-20-2-4-26-46(40)62-61(45)69-63-64(70-62)66(50-30-18-38-58-60(50)48-28-10-16-36-56(48)68(58)53-33-13-7-23-43(53)44-24-8-14-34-54(44)68)71-65(63)49-29-17-37-57-59(49)47-27-9-15-35-55(47)67(57)51-31-11-5-21-41(51)42-22-6-12-32-52(42)67;1-5-23-43(24-6-1)67(44-25-7-2-8-26-44)55-39-19-17-35-51(55)59-53(37-21-41-57(59)67)65-63-64(70-62-50-34-16-14-32-48(50)47-31-13-15-33-49(47)61(62)69-63)66(71-65)54-38-22-42-58-60(54)52-36-18-20-40-56(52)68(58,45-27-9-3-10-28-45)46-29-11-4-12-30-46;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;1-46-24-17-19-26-25-18-16-23(22-45)20-33(25)37-38(34(26)21-24)48-40-39(47-37)43(31-12-6-10-29-27-8-2-4-14-35(27)49-41(29)31)51-44(40)32-13-7-11-30-28-9-3-5-15-36(28)50-42(30)32/h2-37H;2-41H;1-38H;1-42H;2-31H;2-21H
• InChIKey: JNWIKUDUNRBCAQ-UHFFFAOYSA-N
• XLogP: 97.42
• TPSA: 303.42 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 406
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5256.34
LogP ≤ 5	97.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 17,19-bis(9,9-diphenylfluoren-2-yl)-11-isocyano-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(9,9-diphenylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene;17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene;17,19-di(dibenzofuran-4-yl)-11-isocyano-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;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;11-isocyano-17,19-bis(9,9'-spirobi[fluorene]-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-carbonitrile?

The IUPAC name of 17,19-bis(9,9-diphenylfluoren-2-yl)-11-isocyano-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(9,9-diphenylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene;17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene;17,19-di(dibenzofuran-4-yl)-11-isocyano-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;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;11-isocyano-17,19-bis(9,9'-spirobi[fluorene]-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-carbonitrile (CID 158971453) is 17,19-bis(9,9-diphenylfluoren-2-yl)-11-isocyano-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(9,9-diphenylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene;17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene;17,19-di(dibenzofuran-4-yl)-11-isocyano-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;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;11-isocyano-17,19-bis(9,9'-spirobi[fluorene]-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-carbonitrile.

What is the SMILES notation for 17,19-bis(9,9-diphenylfluoren-2-yl)-11-isocyano-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(9,9-diphenylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene;17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene;17,19-di(dibenzofuran-4-yl)-11-isocyano-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;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;11-isocyano-17,19-bis(9,9'-spirobi[fluorene]-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-carbonitrile?

The canonical SMILES for 17,19-bis(9,9-diphenylfluoren-2-yl)-11-isocyano-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(9,9-diphenylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene;17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene;17,19-di(dibenzofuran-4-yl)-11-isocyano-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;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;11-isocyano-17,19-bis(9,9'-spirobi[fluorene]-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-carbonitrile is [C-]#[N+]c1ccc2c3ccc(C#N)cc3c3nc4c(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)sc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4nc3c2c1.[C-]#[N+]c1ccc2c3ccc(C#N)cc3c3nc4c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)sc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4nc3c2c1.[C-]#[N+]c1ccc2c3ccc(C#N)cc3c3nc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)sc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4nc3c2c1.[C-]#[N+]c1ccc2c3ccc(C#N)cc3c3nc4c(-c5cccc6c5oc5ccccc56)sc(-c5cccc6c5oc5ccccc56)c4nc3c2c1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4sc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c5nc6c7ccccc7c7ccccc7c6nc45)cccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(-c3sc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c4nc5c6ccccc6c6ccccc6c5nc34)cccc21.

What is the InChIKey of 17,19-bis(9,9-diphenylfluoren-2-yl)-11-isocyano-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(9,9-diphenylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene;17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene;17,19-di(dibenzofuran-4-yl)-11-isocyano-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;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;11-isocyano-17,19-bis(9,9'-spirobi[fluorene]-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-carbonitrile?

The InChIKey is JNWIKUDUNRBCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H36N4S.C70H40N4S.C68H38N2S.C68H42N2S.C56H30N6S.C44H20N4O2S/c1-72-40-33-35-42-41-34-32-39(38-71)36-51(41)63-64(52(42)37-40)74-66-65(73-63)67(49-22-14-30-59-61(49)47-20-6-12-28-57(47)69(59)53-24-8-2-16-43(53)44-17-3-9-25-54(44)69)75-68(66)50-23-15-31-60-62(50)48-21-7-13-29-58(48)70(60)55-26-10-4-18-45(55)46-19-5-11-27-56(46)70;1-72-50-33-37-52-51-34-30-43(42-71)38-57(51)63-64(58(52)41-50)74-66-65(73-63)67(44-31-35-55-53-26-14-16-28-59(53)69(61(55)39-44,46-18-6-2-7-19-46)47-20-8-3-9-21-47)75-68(66)45-32-36-56-54-27-15-17-29-60(54)70(62(56)40-45,48-22-10-4-11-23-48)49-24-12-5-13-25-49;1-3-25-45-39(19-1)40-20-2-4-26-46(40)62-61(45)69-63-64(70-62)66(50-30-18-38-58-60(50)48-28-10-16-36-56(48)68(58)53-33-13-7-23-43(53)44-24-8-14-34-54(44)68)71-65(63)49-29-17-37-57-59(49)47-27-9-15-35-55(47)67(57)51-31-11-5-21-41(51)42-22-6-12-32-52(42)67;1-5-23-43(24-6-1)67(44-25-7-2-8-26-44)55-39-19-17-35-51(55)59-53(37-21-41-57(59)67)65-63-64(70-62-50-34-16-14-32-48(50)47-31-13-15-33-49(47)61(62)69-63)66(71-65)54-38-22-42-58-60(54)52-36-18-20-40-56(52)68(58,45-27-9-3-10-28-45)46-29-11-4-12-30-46;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;1-46-24-17-19-26-25-18-16-23(22-45)20-33(25)37-38(34(26)21-24)48-40-39(47-37)43(31-12-6-10-29-27-8-2-4-14-35(27)49-41(29)31)51-44(40)32-13-7-11-30-28-9-3-5-15-36(28)50-42(30)32/h2-37H;2-41H;1-38H;1-42H;2-31H;2-21H.

What are the key properties of 17,19-bis(9,9-diphenylfluoren-2-yl)-11-isocyano-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(9,9-diphenylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene;17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene;17,19-di(dibenzofuran-4-yl)-11-isocyano-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;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;11-isocyano-17,19-bis(9,9'-spirobi[fluorene]-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-carbonitrile?

17,19-bis(9,9-diphenylfluoren-2-yl)-11-isocyano-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(9,9-diphenylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene;17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene;17,19-di(dibenzofuran-4-yl)-11-isocyano-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;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;11-isocyano-17,19-bis(9,9'-spirobi[fluorene]-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-carbonitrile has a molecular weight of 5256.34 g/mol, XLogP of 97.42, 22 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 17,19-bis(9,9-diphenylfluoren-2-yl)-11-isocyano-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(9,9-diphenylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene;17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene;17,19-di(dibenzofuran-4-yl)-11-isocyano-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;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;11-isocyano-17,19-bis(9,9'-spirobi[fluorene]-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-carbonitrile is sourced from PubChem (CID 158971453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).