[2-[17,19-di(dibenzofuran-3-yl)-10-(2-methoxyphenyl)-18-thia-15,21-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]phenyl]methanol;[2-[17,19-di(dibenzothiophen-3-yl)-10-(2-methoxyphenyl)-18-thia-15,21-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]phenyl]methanol;5-ethoxy-10-methyl-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;formaldehyde;methyl 4-[17,19-bis(9,9-dimethylfluoren-4-yl)-10-(4-methoxycarbonylphenyl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14-octaen-5-yl]benzoate

C248H164N8O12S6 — CID 159248397

IUPAC[2-[17,19-di(dibenzofuran-3-yl)-10-(2-methoxyphenyl)-18-thia-15,21-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]phenyl]methanol;[2-[17,19-di(dibenzothiophen-3-yl)-10-(2-methoxyphenyl)-18-thia-15,21-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]phenyl]methanol;5-ethoxy-10-methyl-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;formaldehyde;methyl 4-[17,19-bis(9,9-dimethylfluoren-4-yl)-10-(4-methoxycarbonylphenyl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14-octaen-5-yl]benzoate
SMILESC=O.CCOc1ccc2c(c1)c1cc(C)ccc1c1nc3c(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)sc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3nc21.COC(=O)c1ccc(-c2ccc3c4c(c5ccc(-c6ccc(C(=O)OC)cc6)cc5c3c2)=NC2C(c3cccc5c3-c3ccccc3C5(C)C)SC(c3cccc5c3-c3ccccc3C5(C)C)C2N=4)cc1.COc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3CO)ccc1c1nc3c(-c4ccc5c(c4)oc4ccccc45)sc(-c4ccc5c(c4)oc4ccccc45)c3nc21.COc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3CO)ccc1c1nc3c(-c4ccc5c(c4)sc4ccccc45)sc(-c4ccc5c(c4)sc4ccccc45)c3nc21
InChIInChI=1S/C71H44N2OS.C64H50N2O4S.C56H34N2O4S.C56H34N2O2S3.CH2O/c1-3-74-41-35-37-47-53(39-41)52-38-40(2)34-36-46(52)64-65(47)73-67-66(72-64)68(50-24-16-32-60-62(50)48-22-8-14-30-58(48)70(60)54-26-10-4-18-42(54)43-19-5-11-27-55(43)70)75-69(67)51-25-17-33-61-63(51)49-23-9-15-31-59(49)71(61)56-28-12-6-20-44(56)45-21-7-13-29-57(45)71;1-63(2)49-17-9-7-13-43(49)53-45(15-11-19-51(53)63)59-57-58(60(71-59)46-16-12-20-52-54(46)44-14-8-10-18-50(44)64(52,3)4)66-56-42-32-30-40(36-23-27-38(28-24-36)62(68)70-6)34-48(42)47-33-39(29-31-41(47)55(56)65-57)35-21-25-37(26-22-35)61(67)69-5;2*1-60-46-15-7-4-12-37(46)32-19-25-43-45(27-32)44-26-31(36-11-3-2-10-35(36)30-59)18-24-42(44)51-52(43)58-54-53(57-51)55(33-20-22-40-38-13-5-8-16-47(38)61-49(40)28-33)63-56(54)34-21-23-41-39-14-6-9-17-48(39)62-50(41)29-34;1-2/h4-39H,3H2,1-2H3;7-34,57-60H,1-6H3;2*2-29,59H,30H2,1H3;1H2
InChIKeyKUYWQQVOYUUDBI-UHFFFAOYSA-N
MW3640.49 g/mol
LogP62.60
Rot. Bonds22

About [2-[17,19-di(dibenzofuran-3-yl)-10-(2-methoxyphenyl)-18-thia-15,21-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]phenyl]methanol;[2-[17,19-di(dibenzothiophen-3-yl)-10-(2-methoxyphenyl)-18-thia-15,21-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]phenyl]methanol;5-ethoxy-10-methyl-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;formaldehyde;methyl 4-[17,19-bis(9,9-dimethylfluoren-4-yl)-10-(4-methoxycarbonylphenyl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14-octaen-5-yl]benzoate

[2-[17,19-di(dibenzofuran-3-yl)-10-(2-methoxyphenyl)-18-thia-15,21-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]phenyl]methanol;[2-[17,19-di(dibenzothiophen-3-yl)-10-(2-methoxyphenyl)-18-thia-15,21-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]phenyl]methanol;5-ethoxy-10-methyl-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;formaldehyde;methyl 4-[17,19-bis(9,9-dimethylfluoren-4-yl)-10-(4-methoxycarbonylphenyl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14-octaen-5-yl]benzoate (PubChem CID 159248397) has the molecular formula C248H164N8O12S6 and a molecular weight of 3640.49 g/mol. Its IUPAC name is [2-[17,19-di(dibenzofuran-3-yl)-10-(2-methoxyphenyl)-18-thia-15,21-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]phenyl]methanol;[2-[17,19-di(dibenzothiophen-3-yl)-10-(2-methoxyphenyl)-18-thia-15,21-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]phenyl]methanol;5-ethoxy-10-methyl-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;formaldehyde;methyl 4-[17,19-bis(9,9-dimethylfluoren-4-yl)-10-(4-methoxycarbonylphenyl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14-octaen-5-yl]benzoate.

Molecular Properties

Compound Name[2-[17,19-di(dibenzofuran-3-yl)-10-(2-methoxyphenyl)-18-thia-15,21-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]phenyl]methanol;[2-[17,19-di(dibenzothiophen-3-yl)-10-(2-methoxyphenyl)-18-thia-15,21-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]phenyl]methanol;5-ethoxy-10-methyl-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;formaldehyde;methyl 4-[17,19-bis(9,9-dimethylfluoren-4-yl)-10-(4-methoxycarbonylphenyl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14-octaen-5-yl]benzoate
PubChem CID159248397
Molecular FormulaC248H164N8O12S6
Molecular Weight3640.49 g/mol
Exact Mass3637.08
IUPAC Name[2-[17,19-di(dibenzofuran-3-yl)-10-(2-methoxyphenyl)-18-thia-15,21-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]phenyl]methanol;[2-[17,19-di(dibenzothiophen-3-yl)-10-(2-methoxyphenyl)-18-thia-15,21-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]phenyl]methanol;5-ethoxy-10-methyl-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;formaldehyde;methyl 4-[17,19-bis(9,9-dimethylfluoren-4-yl)-10-(4-methoxycarbonylphenyl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14-octaen-5-yl]benzoate
SMILESC=O.CCOc1ccc2c(c1)c1cc(C)ccc1c1nc3c(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)sc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3nc21.COC(=O)c1ccc(-c2ccc3c4c(c5ccc(-c6ccc(C(=O)OC)cc6)cc5c3c2)=NC2C(c3cccc5c3-c3ccccc3C5(C)C)SC(c3cccc5c3-c3ccccc3C5(C)C)C2N=4)cc1.COc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3CO)ccc1c1nc3c(-c4ccc5c(c4)oc4ccccc45)sc(-c4ccc5c(c4)oc4ccccc45)c3nc21.COc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3CO)ccc1c1nc3c(-c4ccc5c(c4)sc4ccccc45)sc(-c4ccc5c(c4)sc4ccccc45)c3nc21
InChIInChI=1S/C71H44N2OS.C64H50N2O4S.C56H34N2O4S.C56H34N2O2S3.CH2O/c1-3-74-41-35-37-47-53(39-41)52-38-40(2)34-36-46(52)64-65(47)73-67-66(72-64)68(50-24-16-32-60-62(50)48-22-8-14-30-58(48)70(60)54-26-10-4-18-42(54)43-19-5-11-27-55(43)70)75-69(67)51-25-17-33-61-63(51)49-23-9-15-31-59(49)71(61)56-28-12-6-20-44(56)45-21-7-13-29-57(45)71;1-63(2)49-17-9-7-13-43(49)53-45(15-11-19-51(53)63)59-57-58(60(71-59)46-16-12-20-52-54(46)44-14-8-10-18-50(44)64(52,3)4)66-56-42-32-30-40(36-23-27-38(28-24-36)62(68)70-6)34-48(42)47-33-39(29-31-41(47)55(56)65-57)35-21-25-37(26-22-35)61(67)69-5;2*1-60-46-15-7-4-12-37(46)32-19-25-43-45(27-32)44-26-31(36-11-3-2-10-35(36)30-59)18-24-42(44)51-52(43)58-54-53(57-51)55(33-20-22-40-38-13-5-8-16-47(38)61-49(40)28-33)63-56(54)34-21-23-41-39-14-6-9-17-48(39)62-50(41)29-34;1-2/h4-39H,3H2,1-2H3;7-34,57-60H,1-6H3;2*2-29,59H,30H2,1H3;1H2
InChIKeyKUYWQQVOYUUDBI-UHFFFAOYSA-N
XLogP62.60
TPSA266.16 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds22
Heavy Atoms274
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003640.49
LogP ≤ 562.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze [2-[17,19-di(dibenzofuran-3-yl)-10-(2-methoxyphenyl)-18-thia-15,21-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]phenyl]methanol;[2-[17,19-di(dibenzothiophen-3-yl)-10-(2-methoxyphenyl)-18-thia-15,21-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]phenyl]methanol;5-ethoxy-10-methyl-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;formaldehyde;methyl 4-[17,19-bis(9,9-dimethylfluoren-4-yl)-10-(4-methoxycarbonylphenyl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14-octaen-5-yl]benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[17,19-di(dibenzofuran-3-yl)-10-(2-methoxyphenyl)-18-thia-15,21-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]phenyl]methanol;[2-[17,19-di(dibenzothiophen-3-yl)-10-(2-methoxyphenyl)-18-thia-15,21-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]phenyl]methanol;5-ethoxy-10-methyl-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;formaldehyde;methyl 4-[17,19-bis(9,9-dimethylfluoren-4-yl)-10-(4-methoxycarbonylphenyl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14-octaen-5-yl]benzoate?
The IUPAC name of [2-[17,19-di(dibenzofuran-3-yl)-10-(2-methoxyphenyl)-18-thia-15,21-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]phenyl]methanol;[2-[17,19-di(dibenzothiophen-3-yl)-10-(2-methoxyphenyl)-18-thia-15,21-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]phenyl]methanol;5-ethoxy-10-methyl-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;formaldehyde;methyl 4-[17,19-bis(9,9-dimethylfluoren-4-yl)-10-(4-methoxycarbonylphenyl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14-octaen-5-yl]benzoate (CID 159248397) is [2-[17,19-di(dibenzofuran-3-yl)-10-(2-methoxyphenyl)-18-thia-15,21-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]phenyl]methanol;[2-[17,19-di(dibenzothiophen-3-yl)-10-(2-methoxyphenyl)-18-thia-15,21-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]phenyl]methanol;5-ethoxy-10-methyl-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;formaldehyde;methyl 4-[17,19-bis(9,9-dimethylfluoren-4-yl)-10-(4-methoxycarbonylphenyl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14-octaen-5-yl]benzoate.
What is the SMILES notation for [2-[17,19-di(dibenzofuran-3-yl)-10-(2-methoxyphenyl)-18-thia-15,21-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]phenyl]methanol;[2-[17,19-di(dibenzothiophen-3-yl)-10-(2-methoxyphenyl)-18-thia-15,21-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]phenyl]methanol;5-ethoxy-10-methyl-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;formaldehyde;methyl 4-[17,19-bis(9,9-dimethylfluoren-4-yl)-10-(4-methoxycarbonylphenyl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14-octaen-5-yl]benzoate?
The canonical SMILES for [2-[17,19-di(dibenzofuran-3-yl)-10-(2-methoxyphenyl)-18-thia-15,21-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]phenyl]methanol;[2-[17,19-di(dibenzothiophen-3-yl)-10-(2-methoxyphenyl)-18-thia-15,21-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]phenyl]methanol;5-ethoxy-10-methyl-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;formaldehyde;methyl 4-[17,19-bis(9,9-dimethylfluoren-4-yl)-10-(4-methoxycarbonylphenyl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14-octaen-5-yl]benzoate is C=O.CCOc1ccc2c(c1)c1cc(C)ccc1c1nc3c(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)sc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3nc21.COC(=O)c1ccc(-c2ccc3c4c(c5ccc(-c6ccc(C(=O)OC)cc6)cc5c3c2)=NC2C(c3cccc5c3-c3ccccc3C5(C)C)SC(c3cccc5c3-c3ccccc3C5(C)C)C2N=4)cc1.COc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3CO)ccc1c1nc3c(-c4ccc5c(c4)oc4ccccc45)sc(-c4ccc5c(c4)oc4ccccc45)c3nc21.COc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3CO)ccc1c1nc3c(-c4ccc5c(c4)sc4ccccc45)sc(-c4ccc5c(c4)sc4ccccc45)c3nc21.
What is the InChIKey of [2-[17,19-di(dibenzofuran-3-yl)-10-(2-methoxyphenyl)-18-thia-15,21-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]phenyl]methanol;[2-[17,19-di(dibenzothiophen-3-yl)-10-(2-methoxyphenyl)-18-thia-15,21-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]phenyl]methanol;5-ethoxy-10-methyl-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;formaldehyde;methyl 4-[17,19-bis(9,9-dimethylfluoren-4-yl)-10-(4-methoxycarbonylphenyl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14-octaen-5-yl]benzoate?
The InChIKey is KUYWQQVOYUUDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H44N2OS.C64H50N2O4S.C56H34N2O4S.C56H34N2O2S3.CH2O/c1-3-74-41-35-37-47-53(39-41)52-38-40(2)34-36-46(52)64-65(47)73-67-66(72-64)68(50-24-16-32-60-62(50)48-22-8-14-30-58(48)70(60)54-26-10-4-18-42(54)43-19-5-11-27-55(43)70)75-69(67)51-25-17-33-61-63(51)49-23-9-15-31-59(49)71(61)56-28-12-6-20-44(56)45-21-7-13-29-57(45)71;1-63(2)49-17-9-7-13-43(49)53-45(15-11-19-51(53)63)59-57-58(60(71-59)46-16-12-20-52-54(46)44-14-8-10-18-50(44)64(52,3)4)66-56-42-32-30-40(36-23-27-38(28-24-36)62(68)70-6)34-48(42)47-33-39(29-31-41(47)55(56)65-57)35-21-25-37(26-22-35)61(67)69-5;2*1-60-46-15-7-4-12-37(46)32-19-25-43-45(27-32)44-26-31(36-11-3-2-10-35(36)30-59)18-24-42(44)51-52(43)58-54-53(57-51)55(33-20-22-40-38-13-5-8-16-47(38)61-49(40)28-33)63-56(54)34-21-23-41-39-14-6-9-17-48(39)62-50(41)29-34;1-2/h4-39H,3H2,1-2H3;7-34,57-60H,1-6H3;2*2-29,59H,30H2,1H3;1H2.
What are the key properties of [2-[17,19-di(dibenzofuran-3-yl)-10-(2-methoxyphenyl)-18-thia-15,21-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]phenyl]methanol;[2-[17,19-di(dibenzothiophen-3-yl)-10-(2-methoxyphenyl)-18-thia-15,21-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]phenyl]methanol;5-ethoxy-10-methyl-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;formaldehyde;methyl 4-[17,19-bis(9,9-dimethylfluoren-4-yl)-10-(4-methoxycarbonylphenyl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14-octaen-5-yl]benzoate?
[2-[17,19-di(dibenzofuran-3-yl)-10-(2-methoxyphenyl)-18-thia-15,21-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]phenyl]methanol;[2-[17,19-di(dibenzothiophen-3-yl)-10-(2-methoxyphenyl)-18-thia-15,21-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]phenyl]methanol;5-ethoxy-10-methyl-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;formaldehyde;methyl 4-[17,19-bis(9,9-dimethylfluoren-4-yl)-10-(4-methoxycarbonylphenyl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14-octaen-5-yl]benzoate has a molecular weight of 3640.49 g/mol, XLogP of 62.60, 22 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[17,19-di(dibenzofuran-3-yl)-10-(2-methoxyphenyl)-18-thia-15,21-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]phenyl]methanol;[2-[17,19-di(dibenzothiophen-3-yl)-10-(2-methoxyphenyl)-18-thia-15,21-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]phenyl]methanol;5-ethoxy-10-methyl-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;formaldehyde;methyl 4-[17,19-bis(9,9-dimethylfluoren-4-yl)-10-(4-methoxycarbonylphenyl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14-octaen-5-yl]benzoate is sourced from PubChem (CID 159248397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).