1,2-diphenyl-5-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;1-phenyl-2-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;9-pyridin-2-yl-6-spiro[fluoreno[4,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole;9-pyrimidin-2-yl-6-spiro[fluoreno[4,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole

C195H117N11O2S2 — CID 161157457

About 1,2-diphenyl-5-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;1-phenyl-2-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;9-pyridin-2-yl-6-spiro[fluoreno[4,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole;9-pyrimidin-2-yl-6-spiro[fluoreno[4,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole

1,2-diphenyl-5-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;1-phenyl-2-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;9-pyridin-2-yl-6-spiro[fluoreno[4,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole;9-pyrimidin-2-yl-6-spiro[fluoreno[4,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole (PubChem CID 161157457) has the molecular formula C195H117N11O2S2 and a molecular weight of 2710.29 g/mol. Its IUPAC name is 1,2-diphenyl-5-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;1-phenyl-2-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;9-pyridin-2-yl-6-spiro[fluoreno[4,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole;9-pyrimidin-2-yl-6-spiro[fluoreno[4,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole.

Molecular Properties

• Compound Name: 1,2-diphenyl-5-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;1-phenyl-2-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;9-pyridin-2-yl-6-spiro[fluoreno[4,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole;9-pyrimidin-2-yl-6-spiro[fluoreno[4,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole
• PubChem CID: 161157457
• Molecular Formula: C195H117N11O2S2
• Molecular Weight: 2710.29 g/mol
• Exact Mass: 2707.88
• IUPAC Name: 1,2-diphenyl-5-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;1-phenyl-2-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;9-pyridin-2-yl-6-spiro[fluoreno[4,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole;9-pyrimidin-2-yl-6-spiro[fluoreno[4,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole
• SMILES: C1=Cc2ccc(-c3ccc4c(c3)c3cccnc3n4-c3ccccn3)cc2C2(c3ccccc31)c1ccccc1-c1c2ccc2c1oc1ccccc12.C1=Cc2ccc(-c3ccc4c(c3)c3cccnc3n4-c3ncccn3)cc2C2(c3ccccc31)c1ccccc1-c1c2ccc2c1oc1ccccc12.C1=Cc2ccc(-c3ccc4c(c3)nc(-c3ccccc3)n4-c3ccccc3)cc2C2(c3ccccc31)c1ccccc1-c1c2ccc2sc3ccccc3c12.C1=Cc2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2C2(c3ccccc31)c1ccccc1-c1c2ccc2sc3ccccc3c12
• InChI: InChI=1S/C52H32N2S.C49H29N3O.C48H28N4O.C46H28N2S/c1-3-14-35(15-4-1)51-53-45-32-37(27-29-46(45)54(51)38-16-5-2-6-17-38)36-26-25-34-24-23-33-13-7-10-20-41(33)52(44(34)31-36)42-21-11-8-18-39(42)49-43(52)28-30-48-50(49)40-19-9-12-22-47(40)55-48;1-4-14-39-30(10-1)18-19-31-20-21-33(32-22-25-43-38(28-32)36-13-9-27-51-48(36)52(43)45-17-7-8-26-50-45)29-42(31)49(39)40-15-5-2-12-37(40)46-41(49)24-23-35-34-11-3-6-16-44(34)53-47(35)46;1-4-13-38-29(9-1)16-17-30-18-19-32(31-20-23-42-37(27-31)35-12-7-24-49-46(35)52(42)47-50-25-8-26-51-47)28-41(30)48(38)39-14-5-2-11-36(39)44-40(48)22-21-34-33-10-3-6-15-43(33)53-45(34)44;1-2-13-32(14-3-1)48-40-20-10-9-19-39(40)47-45(48)31-25-24-30-23-22-29-12-4-7-17-35(29)46(38(30)28-31)36-18-8-5-15-33(36)43-37(46)26-27-42-44(43)34-16-6-11-21-41(34)49-42/h1-32H;1-29H;1-28H;1-28H
• InChIKey: UPMDSWGJLUADJV-UHFFFAOYSA-N
• XLogP: 48.85
• TPSA: 136.23 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2710.29
LogP ≤ 5	48.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-5-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;1-phenyl-2-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;9-pyridin-2-yl-6-spiro[fluoreno[4,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole;9-pyrimidin-2-yl-6-spiro[fluoreno[4,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole?

The IUPAC name of 1,2-diphenyl-5-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;1-phenyl-2-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;9-pyridin-2-yl-6-spiro[fluoreno[4,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole;9-pyrimidin-2-yl-6-spiro[fluoreno[4,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole (CID 161157457) is 1,2-diphenyl-5-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;1-phenyl-2-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;9-pyridin-2-yl-6-spiro[fluoreno[4,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole;9-pyrimidin-2-yl-6-spiro[fluoreno[4,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole.

What is the SMILES notation for 1,2-diphenyl-5-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;1-phenyl-2-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;9-pyridin-2-yl-6-spiro[fluoreno[4,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole;9-pyrimidin-2-yl-6-spiro[fluoreno[4,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole?

The canonical SMILES for 1,2-diphenyl-5-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;1-phenyl-2-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;9-pyridin-2-yl-6-spiro[fluoreno[4,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole;9-pyrimidin-2-yl-6-spiro[fluoreno[4,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole is C1=Cc2ccc(-c3ccc4c(c3)c3cccnc3n4-c3ccccn3)cc2C2(c3ccccc31)c1ccccc1-c1c2ccc2c1oc1ccccc12.C1=Cc2ccc(-c3ccc4c(c3)c3cccnc3n4-c3ncccn3)cc2C2(c3ccccc31)c1ccccc1-c1c2ccc2c1oc1ccccc12.C1=Cc2ccc(-c3ccc4c(c3)nc(-c3ccccc3)n4-c3ccccc3)cc2C2(c3ccccc31)c1ccccc1-c1c2ccc2sc3ccccc3c12.C1=Cc2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2C2(c3ccccc31)c1ccccc1-c1c2ccc2sc3ccccc3c12.

What is the InChIKey of 1,2-diphenyl-5-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;1-phenyl-2-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;9-pyridin-2-yl-6-spiro[fluoreno[4,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole;9-pyrimidin-2-yl-6-spiro[fluoreno[4,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole?

The InChIKey is UPMDSWGJLUADJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2S.C49H29N3O.C48H28N4O.C46H28N2S/c1-3-14-35(15-4-1)51-53-45-32-37(27-29-46(45)54(51)38-16-5-2-6-17-38)36-26-25-34-24-23-33-13-7-10-20-41(33)52(44(34)31-36)42-21-11-8-18-39(42)49-43(52)28-30-48-50(49)40-19-9-12-22-47(40)55-48;1-4-14-39-30(10-1)18-19-31-20-21-33(32-22-25-43-38(28-32)36-13-9-27-51-48(36)52(43)45-17-7-8-26-50-45)29-42(31)49(39)40-15-5-2-12-37(40)46-41(49)24-23-35-34-11-3-6-16-44(34)53-47(35)46;1-4-13-38-29(9-1)16-17-30-18-19-32(31-20-23-42-37(27-31)35-12-7-24-49-46(35)52(42)47-50-25-8-26-51-47)28-41(30)48(38)39-14-5-2-11-36(39)44-40(48)22-21-34-33-10-3-6-15-43(33)53-45(34)44;1-2-13-32(14-3-1)48-40-20-10-9-19-39(40)47-45(48)31-25-24-30-23-22-29-12-4-7-17-35(29)46(38(30)28-31)36-18-8-5-15-33(36)43-37(46)26-27-42-44(43)34-16-6-11-21-41(34)49-42/h1-32H;1-29H;1-28H;1-28H.

What are the key properties of 1,2-diphenyl-5-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;1-phenyl-2-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;9-pyridin-2-yl-6-spiro[fluoreno[4,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole;9-pyrimidin-2-yl-6-spiro[fluoreno[4,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole?

1,2-diphenyl-5-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;1-phenyl-2-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;9-pyridin-2-yl-6-spiro[fluoreno[4,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole;9-pyrimidin-2-yl-6-spiro[fluoreno[4,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole has a molecular weight of 2710.29 g/mol, XLogP of 48.85, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-diphenyl-5-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;1-phenyl-2-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;9-pyridin-2-yl-6-spiro[fluoreno[4,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole;9-pyrimidin-2-yl-6-spiro[fluoreno[4,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole is sourced from PubChem (CID 161157457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).