17,19-bis[9,9-bis(4-methoxyphenyl)fluoren-4-yl]-5,10-bis(4-bromophenyl)-18-thia-15,21-diazapentacyclo[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-bis(4-chlorophenyl)-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;2-[10-(2-carboxyphenyl)-17,19-di(dibenzothiophen-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-decaen-5-yl]benzoic acid;17,19-di(dibenzofuran-3-yl)-5,10-bis(2-iodophenyl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene

C254H154Br2Cl2I2N8O10S6 — CID 158932660

IUPAC17,19-bis[9,9-bis(4-methoxyphenyl)fluoren-4-yl]-5,10-bis(4-bromophenyl)-18-thia-15,21-diazapentacyclo[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-bis(4-chlorophenyl)-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;2-[10-(2-carboxyphenyl)-17,19-di(dibenzothiophen-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-decaen-5-yl]benzoic acid;17,19-di(dibenzofuran-3-yl)-5,10-bis(2-iodophenyl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene
SMILESCC1(C)c2ccccc2-c2c(-c3sc(-c4cccc5c4-c4ccccc4C5(C)C)c4nc5c6ccc(-c7ccc(Cl)cc7)cc6c6cc(-c7ccc(Cl)cc7)ccc6c5nc34)cccc21.COc1ccc(C2(c3ccc(OC)cc3)c3ccccc3-c3c(-c4sc(-c5cccc6c5-c5ccccc5C6(c5ccc(OC)cc5)c5ccc(OC)cc5)c5nc6c7ccc(-c8ccc(Br)cc8)cc7c7cc(-c8ccc(Br)cc8)ccc7c6nc45)cccc32)cc1.Ic1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3I)ccc1c1nc3c(-c4ccc5c(c4)oc4ccccc45)sc(-c4ccc5c(c4)oc4ccccc45)c3nc21.O=C(O)c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C(=O)O)ccc1c1nc3c(-c4ccc5sc6ccccc6c5c4)sc(-c4ccc5sc6ccccc6c5c4)c3nc21
InChIInChI=1S/C84H56Br2N2O4S.C60H40Cl2N2S.C56H30N2O4S3.C54H28I2N2O2S/c1-89-59-37-25-53(26-38-59)83(54-27-39-60(90-2)40-28-54)71-15-7-5-11-65(71)75-67(13-9-17-73(75)83)81-79-80(88-78-64-46-24-52(50-21-35-58(86)36-22-50)48-70(64)69-47-51(23-45-63(69)77(78)87-79)49-19-33-57(85)34-20-49)82(93-81)68-14-10-18-74-76(68)66-12-6-8-16-72(66)84(74,55-29-41-61(91-3)42-30-55)56-31-43-62(92-4)44-32-56;1-59(2)47-15-7-5-11-41(47)51-43(13-9-17-49(51)59)57-55-56(58(65-57)44-14-10-18-50-52(44)42-12-6-8-16-48(42)60(50,3)4)64-54-40-30-24-36(34-21-27-38(62)28-22-34)32-46(40)45-31-35(23-29-39(45)53(54)63-55)33-19-25-37(61)26-20-33;59-55(60)39-13-3-1-9-33(39)29-17-21-37-41(25-29)42-26-30(34-10-2-4-14-40(34)56(61)62)18-22-38(42)50-49(37)57-51-52(58-50)54(32-20-24-48-44(28-32)36-12-6-8-16-46(36)64-48)65-53(51)31-19-23-47-43(27-31)35-11-5-7-15-45(35)63-47;55-43-13-5-1-9-33(43)29-17-23-39-41(25-29)42-26-30(34-10-2-6-14-44(34)56)18-24-40(42)50-49(39)57-51-52(58-50)54(32-20-22-38-36-12-4-8-16-46(36)60-48(38)28-32)61-53(51)31-19-21-37-35-11-3-7-15-45(35)59-47(37)27-31/h5-48H,1-4H3;5-32H,1-4H3;1-28H,(H,59,60)(H,61,62);1-28H
InChIKeyJJGKTZNMRLMUNC-UHFFFAOYSA-N
MW4155.00 g/mol
LogP72.62
Rot. Bonds26

About 17,19-bis[9,9-bis(4-methoxyphenyl)fluoren-4-yl]-5,10-bis(4-bromophenyl)-18-thia-15,21-diazapentacyclo[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-bis(4-chlorophenyl)-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;2-[10-(2-carboxyphenyl)-17,19-di(dibenzothiophen-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-decaen-5-yl]benzoic acid;17,19-di(dibenzofuran-3-yl)-5,10-bis(2-iodophenyl)-18-thia-15,21-diazapentacyclo[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]-5,10-bis(4-bromophenyl)-18-thia-15,21-diazapentacyclo[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-bis(4-chlorophenyl)-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;2-[10-(2-carboxyphenyl)-17,19-di(dibenzothiophen-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-decaen-5-yl]benzoic acid;17,19-di(dibenzofuran-3-yl)-5,10-bis(2-iodophenyl)-18-thia-15,21-diazapentacyclo[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 158932660) has the molecular formula C254H154Br2Cl2I2N8O10S6 and a molecular weight of 4155.00 g/mol. Its IUPAC name is 17,19-bis[9,9-bis(4-methoxyphenyl)fluoren-4-yl]-5,10-bis(4-bromophenyl)-18-thia-15,21-diazapentacyclo[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-bis(4-chlorophenyl)-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;2-[10-(2-carboxyphenyl)-17,19-di(dibenzothiophen-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-decaen-5-yl]benzoic acid;17,19-di(dibenzofuran-3-yl)-5,10-bis(2-iodophenyl)-18-thia-15,21-diazapentacyclo[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 Name17,19-bis[9,9-bis(4-methoxyphenyl)fluoren-4-yl]-5,10-bis(4-bromophenyl)-18-thia-15,21-diazapentacyclo[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-bis(4-chlorophenyl)-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;2-[10-(2-carboxyphenyl)-17,19-di(dibenzothiophen-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-decaen-5-yl]benzoic acid;17,19-di(dibenzofuran-3-yl)-5,10-bis(2-iodophenyl)-18-thia-15,21-diazapentacyclo[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 CID158932660
Molecular FormulaC254H154Br2Cl2I2N8O10S6
Molecular Weight4155.00 g/mol
Exact Mass4148.59
IUPAC Name17,19-bis[9,9-bis(4-methoxyphenyl)fluoren-4-yl]-5,10-bis(4-bromophenyl)-18-thia-15,21-diazapentacyclo[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-bis(4-chlorophenyl)-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;2-[10-(2-carboxyphenyl)-17,19-di(dibenzothiophen-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-decaen-5-yl]benzoic acid;17,19-di(dibenzofuran-3-yl)-5,10-bis(2-iodophenyl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene
SMILESCC1(C)c2ccccc2-c2c(-c3sc(-c4cccc5c4-c4ccccc4C5(C)C)c4nc5c6ccc(-c7ccc(Cl)cc7)cc6c6cc(-c7ccc(Cl)cc7)ccc6c5nc34)cccc21.COc1ccc(C2(c3ccc(OC)cc3)c3ccccc3-c3c(-c4sc(-c5cccc6c5-c5ccccc5C6(c5ccc(OC)cc5)c5ccc(OC)cc5)c5nc6c7ccc(-c8ccc(Br)cc8)cc7c7cc(-c8ccc(Br)cc8)ccc7c6nc45)cccc32)cc1.Ic1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3I)ccc1c1nc3c(-c4ccc5c(c4)oc4ccccc45)sc(-c4ccc5c(c4)oc4ccccc45)c3nc21.O=C(O)c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C(=O)O)ccc1c1nc3c(-c4ccc5sc6ccccc6c5c4)sc(-c4ccc5sc6ccccc6c5c4)c3nc21
InChIInChI=1S/C84H56Br2N2O4S.C60H40Cl2N2S.C56H30N2O4S3.C54H28I2N2O2S/c1-89-59-37-25-53(26-38-59)83(54-27-39-60(90-2)40-28-54)71-15-7-5-11-65(71)75-67(13-9-17-73(75)83)81-79-80(88-78-64-46-24-52(50-21-35-58(86)36-22-50)48-70(64)69-47-51(23-45-63(69)77(78)87-79)49-19-33-57(85)34-20-49)82(93-81)68-14-10-18-74-76(68)66-12-6-8-16-72(66)84(74,55-29-41-61(91-3)42-30-55)56-31-43-62(92-4)44-32-56;1-59(2)47-15-7-5-11-41(47)51-43(13-9-17-49(51)59)57-55-56(58(65-57)44-14-10-18-50-52(44)42-12-6-8-16-48(42)60(50,3)4)64-54-40-30-24-36(34-21-27-38(62)28-22-34)32-46(40)45-31-35(23-29-39(45)53(54)63-55)33-19-25-37(61)26-20-33;59-55(60)39-13-3-1-9-33(39)29-17-21-37-41(25-29)42-26-30(34-10-2-4-14-40(34)56(61)62)18-22-38(42)50-49(37)57-51-52(58-50)54(32-20-24-48-44(28-32)36-12-6-8-16-46(36)64-48)65-53(51)31-19-23-47-43(27-31)35-11-5-7-15-45(35)63-47;55-43-13-5-1-9-33(43)29-17-23-39-41(25-29)42-26-30(34-10-2-6-14-44(34)56)18-24-40(42)50-49(39)57-51-52(58-50)54(32-20-22-38-36-12-4-8-16-46(36)60-48(38)28-32)61-53(51)31-19-21-37-35-11-3-7-15-45(35)59-47(37)27-31/h5-48H,1-4H3;5-32H,1-4H3;1-28H,(H,59,60)(H,61,62);1-28H
InChIKeyJJGKTZNMRLMUNC-UHFFFAOYSA-N
XLogP72.62
TPSA240.92 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds26
Heavy Atoms284
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004155.00
LogP ≤ 572.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 17,19-bis[9,9-bis(4-methoxyphenyl)fluoren-4-yl]-5,10-bis(4-bromophenyl)-18-thia-15,21-diazapentacyclo[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-bis(4-chlorophenyl)-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;2-[10-(2-carboxyphenyl)-17,19-di(dibenzothiophen-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-decaen-5-yl]benzoic acid;17,19-di(dibenzofuran-3-yl)-5,10-bis(2-iodophenyl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17,19-bis[9,9-bis(4-methoxyphenyl)fluoren-4-yl]-5,10-bis(4-bromophenyl)-18-thia-15,21-diazapentacyclo[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-bis(4-chlorophenyl)-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;2-[10-(2-carboxyphenyl)-17,19-di(dibenzothiophen-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-decaen-5-yl]benzoic acid;17,19-di(dibenzofuran-3-yl)-5,10-bis(2-iodophenyl)-18-thia-15,21-diazapentacyclo[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]-5,10-bis(4-bromophenyl)-18-thia-15,21-diazapentacyclo[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-bis(4-chlorophenyl)-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;2-[10-(2-carboxyphenyl)-17,19-di(dibenzothiophen-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-decaen-5-yl]benzoic acid;17,19-di(dibenzofuran-3-yl)-5,10-bis(2-iodophenyl)-18-thia-15,21-diazapentacyclo[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 158932660) is 17,19-bis[9,9-bis(4-methoxyphenyl)fluoren-4-yl]-5,10-bis(4-bromophenyl)-18-thia-15,21-diazapentacyclo[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-bis(4-chlorophenyl)-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;2-[10-(2-carboxyphenyl)-17,19-di(dibenzothiophen-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-decaen-5-yl]benzoic acid;17,19-di(dibenzofuran-3-yl)-5,10-bis(2-iodophenyl)-18-thia-15,21-diazapentacyclo[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]-5,10-bis(4-bromophenyl)-18-thia-15,21-diazapentacyclo[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-bis(4-chlorophenyl)-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;2-[10-(2-carboxyphenyl)-17,19-di(dibenzothiophen-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-decaen-5-yl]benzoic acid;17,19-di(dibenzofuran-3-yl)-5,10-bis(2-iodophenyl)-18-thia-15,21-diazapentacyclo[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]-5,10-bis(4-bromophenyl)-18-thia-15,21-diazapentacyclo[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-bis(4-chlorophenyl)-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;2-[10-(2-carboxyphenyl)-17,19-di(dibenzothiophen-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-decaen-5-yl]benzoic acid;17,19-di(dibenzofuran-3-yl)-5,10-bis(2-iodophenyl)-18-thia-15,21-diazapentacyclo[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)c4nc5c6ccc(-c7ccc(Cl)cc7)cc6c6cc(-c7ccc(Cl)cc7)ccc6c5nc34)cccc21.COc1ccc(C2(c3ccc(OC)cc3)c3ccccc3-c3c(-c4sc(-c5cccc6c5-c5ccccc5C6(c5ccc(OC)cc5)c5ccc(OC)cc5)c5nc6c7ccc(-c8ccc(Br)cc8)cc7c7cc(-c8ccc(Br)cc8)ccc7c6nc45)cccc32)cc1.Ic1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3I)ccc1c1nc3c(-c4ccc5c(c4)oc4ccccc45)sc(-c4ccc5c(c4)oc4ccccc45)c3nc21.O=C(O)c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C(=O)O)ccc1c1nc3c(-c4ccc5sc6ccccc6c5c4)sc(-c4ccc5sc6ccccc6c5c4)c3nc21.
What is the InChIKey of 17,19-bis[9,9-bis(4-methoxyphenyl)fluoren-4-yl]-5,10-bis(4-bromophenyl)-18-thia-15,21-diazapentacyclo[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-bis(4-chlorophenyl)-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;2-[10-(2-carboxyphenyl)-17,19-di(dibenzothiophen-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-decaen-5-yl]benzoic acid;17,19-di(dibenzofuran-3-yl)-5,10-bis(2-iodophenyl)-18-thia-15,21-diazapentacyclo[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 JJGKTZNMRLMUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H56Br2N2O4S.C60H40Cl2N2S.C56H30N2O4S3.C54H28I2N2O2S/c1-89-59-37-25-53(26-38-59)83(54-27-39-60(90-2)40-28-54)71-15-7-5-11-65(71)75-67(13-9-17-73(75)83)81-79-80(88-78-64-46-24-52(50-21-35-58(86)36-22-50)48-70(64)69-47-51(23-45-63(69)77(78)87-79)49-19-33-57(85)34-20-49)82(93-81)68-14-10-18-74-76(68)66-12-6-8-16-72(66)84(74,55-29-41-61(91-3)42-30-55)56-31-43-62(92-4)44-32-56;1-59(2)47-15-7-5-11-41(47)51-43(13-9-17-49(51)59)57-55-56(58(65-57)44-14-10-18-50-52(44)42-12-6-8-16-48(42)60(50,3)4)64-54-40-30-24-36(34-21-27-38(62)28-22-34)32-46(40)45-31-35(23-29-39(45)53(54)63-55)33-19-25-37(61)26-20-33;59-55(60)39-13-3-1-9-33(39)29-17-21-37-41(25-29)42-26-30(34-10-2-4-14-40(34)56(61)62)18-22-38(42)50-49(37)57-51-52(58-50)54(32-20-24-48-44(28-32)36-12-6-8-16-46(36)64-48)65-53(51)31-19-23-47-43(27-31)35-11-5-7-15-45(35)63-47;55-43-13-5-1-9-33(43)29-17-23-39-41(25-29)42-26-30(34-10-2-6-14-44(34)56)18-24-40(42)50-49(39)57-51-52(58-50)54(32-20-22-38-36-12-4-8-16-46(36)60-48(38)28-32)61-53(51)31-19-21-37-35-11-3-7-15-45(35)59-47(37)27-31/h5-48H,1-4H3;5-32H,1-4H3;1-28H,(H,59,60)(H,61,62);1-28H.
What are the key properties of 17,19-bis[9,9-bis(4-methoxyphenyl)fluoren-4-yl]-5,10-bis(4-bromophenyl)-18-thia-15,21-diazapentacyclo[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-bis(4-chlorophenyl)-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;2-[10-(2-carboxyphenyl)-17,19-di(dibenzothiophen-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-decaen-5-yl]benzoic acid;17,19-di(dibenzofuran-3-yl)-5,10-bis(2-iodophenyl)-18-thia-15,21-diazapentacyclo[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]-5,10-bis(4-bromophenyl)-18-thia-15,21-diazapentacyclo[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-bis(4-chlorophenyl)-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;2-[10-(2-carboxyphenyl)-17,19-di(dibenzothiophen-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-decaen-5-yl]benzoic acid;17,19-di(dibenzofuran-3-yl)-5,10-bis(2-iodophenyl)-18-thia-15,21-diazapentacyclo[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 4155.00 g/mol, XLogP of 72.62, 26 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 17,19-bis[9,9-bis(4-methoxyphenyl)fluoren-4-yl]-5,10-bis(4-bromophenyl)-18-thia-15,21-diazapentacyclo[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-bis(4-chlorophenyl)-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;2-[10-(2-carboxyphenyl)-17,19-di(dibenzothiophen-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-decaen-5-yl]benzoic acid;17,19-di(dibenzofuran-3-yl)-5,10-bis(2-iodophenyl)-18-thia-15,21-diazapentacyclo[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 158932660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).