11'-[4-(2-phenylbenzimidazol-1-yl)phenyl]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

C56H34N2O2S — CID 134573475

IUPAC11'-[4-(2-phenylbenzimidazol-1-yl)phenyl]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(-c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3)cc21
InChIInChI=1S/C56H34N2O2S/c59-61(60)52-25-13-8-19-43(52)44-32-33-48-53(54(44)61)45-20-7-10-22-47(45)56(48)46-21-9-6-18-41(46)39-16-4-5-17-40(39)42-31-28-37(34-49(42)56)35-26-29-38(30-27-35)58-51-24-12-11-23-50(51)57-55(58)36-14-2-1-3-15-36/h1-34H
InChIKeyALFVYSAIMGZPQX-UHFFFAOYSA-N
MW798.97 g/mol
LogP13.18
Rot. Bonds3

About 11'-[4-(2-phenylbenzimidazol-1-yl)phenyl]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'-[4-(2-phenylbenzimidazol-1-yl)phenyl]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 134573475) has the molecular formula C56H34N2O2S and a molecular weight of 798.97 g/mol. Its IUPAC name is 11'-[4-(2-phenylbenzimidazol-1-yl)phenyl]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'-[4-(2-phenylbenzimidazol-1-yl)phenyl]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 CID134573475
Molecular FormulaC56H34N2O2S
Molecular Weight798.97 g/mol
Exact Mass798.23
IUPAC Name11'-[4-(2-phenylbenzimidazol-1-yl)phenyl]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(-c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3)cc21
InChIInChI=1S/C56H34N2O2S/c59-61(60)52-25-13-8-19-43(52)44-32-33-48-53(54(44)61)45-20-7-10-22-47(45)56(48)46-21-9-6-18-41(46)39-16-4-5-17-40(39)42-31-28-37(34-49(42)56)35-26-29-38(30-27-35)58-51-24-12-11-23-50(51)57-55(58)36-14-2-1-3-15-36/h1-34H
InChIKeyALFVYSAIMGZPQX-UHFFFAOYSA-N
XLogP13.18
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.97
LogP ≤ 513.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11'-[4-(2-phenylbenzimidazol-1-yl)phenyl]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

2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
CID 170942090
11'-(1,2-diphenylbenzimidazol-5-yl)spiro[9λ6-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 9,9-dioxide
CID 134573555
ethene;1-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2-phenylbenzimidazole
CID 143828948
2-[4-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)phenyl]-1-phenylbenzimidazole
CID 130287427
1-[3-[4-(2',7'-diphenyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 118688264
1-(4-phenylphenyl)-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylbenzimidazole
CID 134528323
1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole
CID 118688206
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828968
2-(2,6-diphenyl-3-pyridinyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
CID 156528656
1-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,7-diphenyl-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole
CID 118688194
11'-[4-phenyl-6-(2-phenylpyrimidin-5-yl)pyrimidin-2-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 134573535
9-[3-carbazol-9-yl-5-[3-(1-phenylbenzimidazol-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]carbazole
CID 58500843

Frequently Asked Questions

What is the IUPAC name of 11'-[4-(2-phenylbenzimidazol-1-yl)phenyl]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'-[4-(2-phenylbenzimidazol-1-yl)phenyl]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 134573475) is 11'-[4-(2-phenylbenzimidazol-1-yl)phenyl]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'-[4-(2-phenylbenzimidazol-1-yl)phenyl]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'-[4-(2-phenylbenzimidazol-1-yl)phenyl]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(-c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3)cc21.
What is the InChIKey of 11'-[4-(2-phenylbenzimidazol-1-yl)phenyl]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 ALFVYSAIMGZPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N2O2S/c59-61(60)52-25-13-8-19-43(52)44-32-33-48-53(54(44)61)45-20-7-10-22-47(45)56(48)46-21-9-6-18-41(46)39-16-4-5-17-40(39)42-31-28-37(34-49(42)56)35-26-29-38(30-27-35)58-51-24-12-11-23-50(51)57-55(58)36-14-2-1-3-15-36/h1-34H.
What are the key properties of 11'-[4-(2-phenylbenzimidazol-1-yl)phenyl]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'-[4-(2-phenylbenzimidazol-1-yl)phenyl]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 798.97 g/mol, XLogP of 13.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11'-[4-(2-phenylbenzimidazol-1-yl)phenyl]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 134573475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).