11'-[6-phenyl-2-(2-phenylpyrimidin-5-yl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide

C224H134N14O8S4 — CID 158092779

IUPAC11'-[6-phenyl-2-(2-phenylpyrimidin-5-yl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide
SMILESO=S1(=O)c2ccccc2-c2ccc3c(c21)-c1ccccc1C31c2ccccc2-c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccnc5)cc4)n3)cc21.O=S1(=O)c2ccccc2-c2ccc3c(c21)-c1ccccc1C31c2ccccc2-c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccnc5)nc4)n3)cc21.O=S1(=O)c2ccccc2-c2ccc3c(c21)-c1ccccc1C31c2ccccc2-c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4cnc(-c5ccccc5)nc4)n3)cc21.O=S1(=O)c2ccccc2-c2ccc3c(c21)-c1ccccc1C31c2ccccc2-c2ccccc2-c2ccc(-c3cc(-c4cccnc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C58H35N3O2S.2C57H34N4O2S.C52H31N3O2S/c62-64(63)54-23-11-8-19-45(54)46-30-31-50-55(56(46)64)47-20-7-10-22-49(47)58(50)48-21-9-6-18-43(48)41-16-4-5-17-42(41)44-29-28-39(33-51(44)58)53-34-52(37-13-2-1-3-14-37)60-57(61-53)38-26-24-36(25-27-38)40-15-12-32-59-35-40;62-64(63)52-26-14-11-22-43(52)44-29-30-48-53(54(44)64)45-23-10-13-25-47(45)57(48)46-24-12-9-21-41(46)39-19-7-8-20-40(39)42-28-27-37(31-49(42)57)51-32-50(35-15-3-1-4-16-35)60-56(61-51)38-33-58-55(59-34-38)36-17-5-2-6-18-36;62-64(63)53-23-11-8-19-43(53)44-27-28-48-54(55(44)64)45-20-7-10-22-47(45)57(48)46-21-9-6-18-41(46)39-16-4-5-17-40(39)42-26-24-36(31-49(42)57)52-32-51(35-13-2-1-3-14-35)60-56(61-52)38-25-29-50(59-34-38)37-15-12-30-58-33-37;56-58(57)48-23-11-8-19-39(48)40-26-27-44-49(50(40)58)41-20-7-10-22-43(41)52(44)42-21-9-6-18-37(42)35-16-4-5-17-36(35)38-25-24-33(29-45(38)52)46-30-47(34-15-12-28-53-31-34)55-51(54-46)32-13-2-1-3-14-32/h1-35H;2*1-34H;1-31H
InChIKeyFOHQONZFGBNSSU-UHFFFAOYSA-N
MW3277.89 g/mol
LogP50.58
Rot. Bonds15

About 11'-[6-phenyl-2-(2-phenylpyrimidin-5-yl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide

11'-[6-phenyl-2-(2-phenylpyrimidin-5-yl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide (PubChem CID 158092779) has the molecular formula C224H134N14O8S4 and a molecular weight of 3277.89 g/mol. Its IUPAC name is 11'-[6-phenyl-2-(2-phenylpyrimidin-5-yl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide.

Molecular Properties

Compound Name11'-[6-phenyl-2-(2-phenylpyrimidin-5-yl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide
PubChem CID158092779
Molecular FormulaC224H134N14O8S4
Molecular Weight3277.89 g/mol
Exact Mass3274.94
IUPAC Name11'-[6-phenyl-2-(2-phenylpyrimidin-5-yl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide
SMILESO=S1(=O)c2ccccc2-c2ccc3c(c21)-c1ccccc1C31c2ccccc2-c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccnc5)cc4)n3)cc21.O=S1(=O)c2ccccc2-c2ccc3c(c21)-c1ccccc1C31c2ccccc2-c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccnc5)nc4)n3)cc21.O=S1(=O)c2ccccc2-c2ccc3c(c21)-c1ccccc1C31c2ccccc2-c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4cnc(-c5ccccc5)nc4)n3)cc21.O=S1(=O)c2ccccc2-c2ccc3c(c21)-c1ccccc1C31c2ccccc2-c2ccccc2-c2ccc(-c3cc(-c4cccnc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C58H35N3O2S.2C57H34N4O2S.C52H31N3O2S/c62-64(63)54-23-11-8-19-45(54)46-30-31-50-55(56(46)64)47-20-7-10-22-49(47)58(50)48-21-9-6-18-43(48)41-16-4-5-17-42(41)44-29-28-39(33-51(44)58)53-34-52(37-13-2-1-3-14-37)60-57(61-53)38-26-24-36(25-27-38)40-15-12-32-59-35-40;62-64(63)52-26-14-11-22-43(52)44-29-30-48-53(54(44)64)45-23-10-13-25-47(45)57(48)46-24-12-9-21-41(46)39-19-7-8-20-40(39)42-28-27-37(31-49(42)57)51-32-50(35-15-3-1-4-16-35)60-56(61-51)38-33-58-55(59-34-38)36-17-5-2-6-18-36;62-64(63)53-23-11-8-19-43(53)44-27-28-48-54(55(44)64)45-20-7-10-22-47(45)57(48)46-21-9-6-18-41(46)39-16-4-5-17-40(39)42-26-24-36(31-49(42)57)52-32-51(35-13-2-1-3-14-35)60-56(61-52)38-25-29-50(59-34-38)37-15-12-30-58-33-37;56-58(57)48-23-11-8-19-39(48)40-26-27-44-49(50(40)58)41-20-7-10-22-43(41)52(44)42-21-9-6-18-37(42)35-16-4-5-17-36(35)38-25-24-33(29-45(38)52)46-30-47(34-15-12-28-53-31-34)55-51(54-46)32-13-2-1-3-14-32/h1-35H;2*1-34H;1-31H
InChIKeyFOHQONZFGBNSSU-UHFFFAOYSA-N
XLogP50.58
TPSA317.02 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds15
Heavy Atoms250
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003277.89
LogP ≤ 550.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 11'-[6-phenyl-2-(2-phenylpyrimidin-5-yl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 11'-[6-phenyl-2-(2-phenylpyrimidin-5-yl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide?
The IUPAC name of 11'-[6-phenyl-2-(2-phenylpyrimidin-5-yl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide (CID 158092779) is 11'-[6-phenyl-2-(2-phenylpyrimidin-5-yl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide.
What is the SMILES notation for 11'-[6-phenyl-2-(2-phenylpyrimidin-5-yl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide?
The canonical SMILES for 11'-[6-phenyl-2-(2-phenylpyrimidin-5-yl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide is O=S1(=O)c2ccccc2-c2ccc3c(c21)-c1ccccc1C31c2ccccc2-c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccnc5)cc4)n3)cc21.O=S1(=O)c2ccccc2-c2ccc3c(c21)-c1ccccc1C31c2ccccc2-c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccnc5)nc4)n3)cc21.O=S1(=O)c2ccccc2-c2ccc3c(c21)-c1ccccc1C31c2ccccc2-c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4cnc(-c5ccccc5)nc4)n3)cc21.O=S1(=O)c2ccccc2-c2ccc3c(c21)-c1ccccc1C31c2ccccc2-c2ccccc2-c2ccc(-c3cc(-c4cccnc4)nc(-c4ccccc4)n3)cc21.
What is the InChIKey of 11'-[6-phenyl-2-(2-phenylpyrimidin-5-yl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide?
The InChIKey is FOHQONZFGBNSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N3O2S.2C57H34N4O2S.C52H31N3O2S/c62-64(63)54-23-11-8-19-45(54)46-30-31-50-55(56(46)64)47-20-7-10-22-49(47)58(50)48-21-9-6-18-43(48)41-16-4-5-17-42(41)44-29-28-39(33-51(44)58)53-34-52(37-13-2-1-3-14-37)60-57(61-53)38-26-24-36(25-27-38)40-15-12-32-59-35-40;62-64(63)52-26-14-11-22-43(52)44-29-30-48-53(54(44)64)45-23-10-13-25-47(45)57(48)46-24-12-9-21-41(46)39-19-7-8-20-40(39)42-28-27-37(31-49(42)57)51-32-50(35-15-3-1-4-16-35)60-56(61-51)38-33-58-55(59-34-38)36-17-5-2-6-18-36;62-64(63)53-23-11-8-19-43(53)44-27-28-48-54(55(44)64)45-20-7-10-22-47(45)57(48)46-21-9-6-18-41(46)39-16-4-5-17-40(39)42-26-24-36(31-49(42)57)52-32-51(35-13-2-1-3-14-35)60-56(61-52)38-25-29-50(59-34-38)37-15-12-30-58-33-37;56-58(57)48-23-11-8-19-39(48)40-26-27-44-49(50(40)58)41-20-7-10-22-43(41)52(44)42-21-9-6-18-37(42)35-16-4-5-17-36(35)38-25-24-33(29-45(38)52)46-30-47(34-15-12-28-53-31-34)55-51(54-46)32-13-2-1-3-14-32/h1-35H;2*1-34H;1-31H.
What are the key properties of 11'-[6-phenyl-2-(2-phenylpyrimidin-5-yl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide?
11'-[6-phenyl-2-(2-phenylpyrimidin-5-yl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide has a molecular weight of 3277.89 g/mol, XLogP of 50.58, 15 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 11'-[6-phenyl-2-(2-phenylpyrimidin-5-yl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide is sourced from PubChem (CID 158092779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).