17,19-bis[9,9-bis(4-methoxyphenyl)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-dimethylfluoren-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-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-phenyl-9H-fluoren-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

C354H208Br12N12O6S6 — CID 158007204

About 17,19-bis[9,9-bis(4-methoxyphenyl)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-dimethylfluoren-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-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-phenyl-9H-fluoren-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

17,19-bis[9,9-bis(4-methoxyphenyl)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-dimethylfluoren-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-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-phenyl-9H-fluoren-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 (PubChem CID 158007204) has the molecular formula C354H208Br12N12O6S6 and a molecular weight of 5876.89 g/mol. Its IUPAC name is 17,19-bis[9,9-bis(4-methoxyphenyl)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-dimethylfluoren-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-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-phenyl-9H-fluoren-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.

Molecular Properties

• Compound Name: 17,19-bis[9,9-bis(4-methoxyphenyl)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-dimethylfluoren-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-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-phenyl-9H-fluoren-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
• PubChem CID: 158007204
• Molecular Formula: C354H208Br12N12O6S6
• Molecular Weight: 5876.89 g/mol
• Exact Mass: 5860.49
• IUPAC Name: 17,19-bis[9,9-bis(4-methoxyphenyl)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-dimethylfluoren-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-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-phenyl-9H-fluoren-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
• 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)C(c5ccccc5)c5ccccc5-6)sc(-c5ccc6c(c5)C(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(-c5cccc6c5oc5ccccc56)sc(-c5cccc6c5oc5ccccc56)c4nc3c2c1.CC1(C)c2ccccc2-c2c(-c3sc(-c4cccc5c4-c4ccccc4C5(C)C)c4nc5c6cc(Br)ccc6c6ccc(Br)cc6c5nc34)cccc21.COc1ccc(C2(c3ccc(OC)cc3)c3ccccc3-c3c(-c4sc(-c5cccc6c5-c5ccccc5C6(c5ccc(OC)cc5)c5ccc(OC)cc5)c5nc6c7cc(Br)ccc7c7ccc(Br)cc7c6nc45)cccc32)cc1
• InChI: InChI=1S/C72H48Br2N2O4S.C68H36Br2N2S.C68H40Br2N2S.C56H32Br2N2S.C48H32Br2N2S.C42H20Br2N2O2S/c1-77-47-29-19-41(20-30-47)71(42-21-31-48(78-2)32-22-42)59-15-7-5-11-53(59)63-55(13-9-17-61(63)71)69-67-68(76-66-58-40-46(74)28-38-52(58)51-37-27-45(73)39-57(51)65(66)75-67)70(81-69)56-14-10-18-62-64(56)54-12-6-8-16-60(54)72(62,43-23-33-49(79-3)34-24-43)44-25-35-50(80-4)36-26-44;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;57-35-21-25-41-42-26-22-36(58)30-48(42)52-51(47(41)29-35)59-53-54(60-52)56(34-20-24-40-38-16-8-10-18-44(38)50(46(40)28-34)32-13-5-2-6-14-32)61-55(53)33-19-23-39-37-15-7-9-17-43(37)49(45(39)27-33)31-11-3-1-4-12-31;1-47(2)35-15-7-5-11-29(35)39-31(13-9-17-37(39)47)45-43-44(46(53-45)32-14-10-18-38-40(32)30-12-6-8-16-36(30)48(38,3)4)52-42-34-24-26(50)20-22-28(34)27-21-19-25(49)23-33(27)41(42)51-43;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/h5-40H,1-4H3;1-36H;1-40H;1-30,49-50H;5-24H,1-4H3;1-20H
• InChIKey: FELBTCPKSOTMPX-UHFFFAOYSA-N
• XLogP: 100.97
• TPSA: 217.88 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 26
• Heavy Atoms: 390
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5876.89
LogP ≤ 5	100.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 17,19-bis[9,9-bis(4-methoxyphenyl)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-dimethylfluoren-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-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-phenyl-9H-fluoren-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?

The IUPAC name of 17,19-bis[9,9-bis(4-methoxyphenyl)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-dimethylfluoren-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-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-phenyl-9H-fluoren-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 (CID 158007204) is 17,19-bis[9,9-bis(4-methoxyphenyl)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-dimethylfluoren-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-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-phenyl-9H-fluoren-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.

What is the SMILES notation for 17,19-bis[9,9-bis(4-methoxyphenyl)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-dimethylfluoren-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-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-phenyl-9H-fluoren-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?

The canonical SMILES for 17,19-bis[9,9-bis(4-methoxyphenyl)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-dimethylfluoren-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-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-phenyl-9H-fluoren-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 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)C(c5ccccc5)c5ccccc5-6)sc(-c5ccc6c(c5)C(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(-c5cccc6c5oc5ccccc56)sc(-c5cccc6c5oc5ccccc56)c4nc3c2c1.CC1(C)c2ccccc2-c2c(-c3sc(-c4cccc5c4-c4ccccc4C5(C)C)c4nc5c6cc(Br)ccc6c6ccc(Br)cc6c5nc34)cccc21.COc1ccc(C2(c3ccc(OC)cc3)c3ccccc3-c3c(-c4sc(-c5cccc6c5-c5ccccc5C6(c5ccc(OC)cc5)c5ccc(OC)cc5)c5nc6c7cc(Br)ccc7c7ccc(Br)cc7c6nc45)cccc32)cc1.

What is the InChIKey of 17,19-bis[9,9-bis(4-methoxyphenyl)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-dimethylfluoren-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-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-phenyl-9H-fluoren-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?

The InChIKey is FELBTCPKSOTMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48Br2N2O4S.C68H36Br2N2S.C68H40Br2N2S.C56H32Br2N2S.C48H32Br2N2S.C42H20Br2N2O2S/c1-77-47-29-19-41(20-30-47)71(42-21-31-48(78-2)32-22-42)59-15-7-5-11-53(59)63-55(13-9-17-61(63)71)69-67-68(76-66-58-40-46(74)28-38-52(58)51-37-27-45(73)39-57(51)65(66)75-67)70(81-69)56-14-10-18-62-64(56)54-12-6-8-16-60(54)72(62,43-23-33-49(79-3)34-24-43)44-25-35-50(80-4)36-26-44;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;57-35-21-25-41-42-26-22-36(58)30-48(42)52-51(47(41)29-35)59-53-54(60-52)56(34-20-24-40-38-16-8-10-18-44(38)50(46(40)28-34)32-13-5-2-6-14-32)61-55(53)33-19-23-39-37-15-7-9-17-43(37)49(45(39)27-33)31-11-3-1-4-12-31;1-47(2)35-15-7-5-11-29(35)39-31(13-9-17-37(39)47)45-43-44(46(53-45)32-14-10-18-38-40(32)30-12-6-8-16-36(30)48(38,3)4)52-42-34-24-26(50)20-22-28(34)27-21-19-25(49)23-33(27)41(42)51-43;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/h5-40H,1-4H3;1-36H;1-40H;1-30,49-50H;5-24H,1-4H3;1-20H.

What are the key properties of 17,19-bis[9,9-bis(4-methoxyphenyl)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-dimethylfluoren-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-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-phenyl-9H-fluoren-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?

17,19-bis[9,9-bis(4-methoxyphenyl)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-dimethylfluoren-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-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-phenyl-9H-fluoren-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 has a molecular weight of 5876.89 g/mol, XLogP of 100.97, 26 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 17,19-bis[9,9-bis(4-methoxyphenyl)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-dimethylfluoren-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-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-phenyl-9H-fluoren-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 is sourced from PubChem (CID 158007204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).