2-phenyl-5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;9-pyridin-2-yl-3-spiro[fluoreno[4,3-b][1]benzothiole-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-pyridin-2-yl-6-spiro[fluoreno[3,2-b][1]benzothiole-11,2'-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[3,2-b][1]benzothiole-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole

C250H148N16S5 — CID 157153682

IUPAC2-phenyl-5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;9-pyridin-2-yl-3-spiro[fluoreno[4,3-b][1]benzothiole-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-pyridin-2-yl-6-spiro[fluoreno[3,2-b][1]benzothiole-11,2'-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[3,2-b][1]benzothiole-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole
SMILESC1=Cc2ccc(-c3ccc4c(c3)c3cccnc3n4-c3ccccn3)cc2C2(c3ccccc31)c1ccccc1-c1cc3sc4ccccc4c3cc12.C1=Cc2ccc(-c3ccc4c(c3)c3cccnc3n4-c3ncccn3)cc2C2(c3ccccc31)c1ccccc1-c1cc3sc4ccccc4c3cc12.C1=Cc2ccc(-c3ccc4c(c3)c3nc(-c5ccccc5)ccc3n4-c3ccccn3)cc2C2(c3ccccc31)c1ccccc1-c1c2ccc2c1sc1ccccc12.C1=Cc2ccc(-c3ccc4c(c3)c3ncccc3n4-c3ccccn3)cc2C2(c3ccccc31)c1ccccc1-c1c2ccc2c1sc1ccccc12.C1=Cc2ccc(-c3cnc4c(c3)c3ccccc3n4-c3ccccn3)cc2C2(c3ccccc31)c1ccccc1-c1c2ccc2c1sc1ccccc12
InChIInChI=1S/C55H33N3S.3C49H29N3S.C48H28N4S/c1-2-13-36(14-3-1)47-28-30-49-53(57-47)42-32-37(25-29-48(42)58(49)51-20-10-11-31-56-51)38-24-23-35-22-21-34-12-4-7-17-43(34)55(46(35)33-38)44-18-8-5-16-41(44)52-45(55)27-26-40-39-15-6-9-19-50(39)59-54(40)52;1-5-15-39-30(11-1)20-21-31-22-23-32(33-27-38-34-12-3-7-17-43(34)52(48(38)51-29-33)45-19-9-10-26-50-45)28-42(31)49(39)40-16-6-2-14-37(40)46-41(49)25-24-36-35-13-4-8-18-44(35)53-47(36)46;1-4-13-38-30(10-1)18-19-31-20-21-33(32-22-25-42-37(28-32)47-43(15-9-27-51-47)52(42)45-17-7-8-26-50-45)29-41(31)49(38)39-14-5-2-12-36(39)46-40(49)24-23-35-34-11-3-6-16-44(34)53-48(35)46;1-4-14-40-30(10-1)18-19-31-20-21-33(32-22-23-44-38(26-32)36-13-9-25-51-48(36)52(44)47-17-7-8-24-50-47)27-42(31)49(40)41-15-5-2-11-34(41)37-29-46-39(28-43(37)49)35-12-3-6-16-45(35)53-46;1-4-13-39-29(9-1)16-17-30-18-19-32(31-20-21-43-37(25-31)35-12-7-22-49-46(35)52(43)47-50-23-8-24-51-47)26-41(30)48(39)40-14-5-2-10-33(40)36-28-45-38(27-42(36)48)34-11-3-6-15-44(34)53-45/h1-33H;3*1-29H;1-28H
InChIKeyALOBUWQDTJEEDP-UHFFFAOYSA-N
MW3536.38 g/mol
LogP63.34
Rot. Bonds11

About 2-phenyl-5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;9-pyridin-2-yl-3-spiro[fluoreno[4,3-b][1]benzothiole-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-pyridin-2-yl-6-spiro[fluoreno[3,2-b][1]benzothiole-11,2'-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[3,2-b][1]benzothiole-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole

2-phenyl-5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;9-pyridin-2-yl-3-spiro[fluoreno[4,3-b][1]benzothiole-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-pyridin-2-yl-6-spiro[fluoreno[3,2-b][1]benzothiole-11,2'-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[3,2-b][1]benzothiole-11,2'-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 157153682) has the molecular formula C250H148N16S5 and a molecular weight of 3536.38 g/mol. Its IUPAC name is 2-phenyl-5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;9-pyridin-2-yl-3-spiro[fluoreno[4,3-b][1]benzothiole-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-pyridin-2-yl-6-spiro[fluoreno[3,2-b][1]benzothiole-11,2'-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[3,2-b][1]benzothiole-11,2'-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 Name2-phenyl-5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;9-pyridin-2-yl-3-spiro[fluoreno[4,3-b][1]benzothiole-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-pyridin-2-yl-6-spiro[fluoreno[3,2-b][1]benzothiole-11,2'-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[3,2-b][1]benzothiole-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole
PubChem CID157153682
Molecular FormulaC250H148N16S5
Molecular Weight3536.38 g/mol
Exact Mass3533.07
IUPAC Name2-phenyl-5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;9-pyridin-2-yl-3-spiro[fluoreno[4,3-b][1]benzothiole-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-pyridin-2-yl-6-spiro[fluoreno[3,2-b][1]benzothiole-11,2'-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[3,2-b][1]benzothiole-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole
SMILESC1=Cc2ccc(-c3ccc4c(c3)c3cccnc3n4-c3ccccn3)cc2C2(c3ccccc31)c1ccccc1-c1cc3sc4ccccc4c3cc12.C1=Cc2ccc(-c3ccc4c(c3)c3cccnc3n4-c3ncccn3)cc2C2(c3ccccc31)c1ccccc1-c1cc3sc4ccccc4c3cc12.C1=Cc2ccc(-c3ccc4c(c3)c3nc(-c5ccccc5)ccc3n4-c3ccccn3)cc2C2(c3ccccc31)c1ccccc1-c1c2ccc2c1sc1ccccc12.C1=Cc2ccc(-c3ccc4c(c3)c3ncccc3n4-c3ccccn3)cc2C2(c3ccccc31)c1ccccc1-c1c2ccc2c1sc1ccccc12.C1=Cc2ccc(-c3cnc4c(c3)c3ccccc3n4-c3ccccn3)cc2C2(c3ccccc31)c1ccccc1-c1c2ccc2c1sc1ccccc12
InChIInChI=1S/C55H33N3S.3C49H29N3S.C48H28N4S/c1-2-13-36(14-3-1)47-28-30-49-53(57-47)42-32-37(25-29-48(42)58(49)51-20-10-11-31-56-51)38-24-23-35-22-21-34-12-4-7-17-43(34)55(46(35)33-38)44-18-8-5-16-41(44)52-45(55)27-26-40-39-15-6-9-19-50(39)59-54(40)52;1-5-15-39-30(11-1)20-21-31-22-23-32(33-27-38-34-12-3-7-17-43(34)52(48(38)51-29-33)45-19-9-10-26-50-45)28-42(31)49(39)40-16-6-2-14-37(40)46-41(49)25-24-36-35-13-4-8-18-44(35)53-47(36)46;1-4-13-38-30(10-1)18-19-31-20-21-33(32-22-25-42-37(28-32)47-43(15-9-27-51-47)52(42)45-17-7-8-26-50-45)29-41(31)49(38)39-14-5-2-12-36(39)46-40(49)24-23-35-34-11-3-6-16-44(34)53-48(35)46;1-4-14-40-30(10-1)18-19-31-20-21-33(32-22-23-44-38(26-32)36-13-9-25-51-48(36)52(44)47-17-7-8-24-50-47)27-42(31)49(40)41-15-5-2-11-34(41)37-29-46-39(28-43(37)49)35-12-3-6-16-45(35)53-46;1-4-13-39-29(9-1)16-17-30-18-19-32(31-20-21-43-37(25-31)35-12-7-22-49-46(35)52(43)47-50-23-8-24-51-47)26-41(30)48(39)40-14-5-2-10-33(40)36-28-45-38(27-42(36)48)34-11-3-6-15-44(34)53-45/h1-33H;3*1-29H;1-28H
InChIKeyALOBUWQDTJEEDP-UHFFFAOYSA-N
XLogP63.34
TPSA166.44 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds11
Heavy Atoms271
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003536.38
LogP ≤ 563.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 2-phenyl-5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;9-pyridin-2-yl-3-spiro[fluoreno[4,3-b][1]benzothiole-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-pyridin-2-yl-6-spiro[fluoreno[3,2-b][1]benzothiole-11,2'-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[3,2-b][1]benzothiole-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;9-pyridin-2-yl-3-spiro[fluoreno[4,3-b][1]benzothiole-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-pyridin-2-yl-6-spiro[fluoreno[3,2-b][1]benzothiole-11,2'-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[3,2-b][1]benzothiole-11,2'-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 2-phenyl-5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;9-pyridin-2-yl-3-spiro[fluoreno[4,3-b][1]benzothiole-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-pyridin-2-yl-6-spiro[fluoreno[3,2-b][1]benzothiole-11,2'-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[3,2-b][1]benzothiole-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole (CID 157153682) is 2-phenyl-5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;9-pyridin-2-yl-3-spiro[fluoreno[4,3-b][1]benzothiole-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-pyridin-2-yl-6-spiro[fluoreno[3,2-b][1]benzothiole-11,2'-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[3,2-b][1]benzothiole-11,2'-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 2-phenyl-5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;9-pyridin-2-yl-3-spiro[fluoreno[4,3-b][1]benzothiole-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-pyridin-2-yl-6-spiro[fluoreno[3,2-b][1]benzothiole-11,2'-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[3,2-b][1]benzothiole-11,2'-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 2-phenyl-5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;9-pyridin-2-yl-3-spiro[fluoreno[4,3-b][1]benzothiole-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-pyridin-2-yl-6-spiro[fluoreno[3,2-b][1]benzothiole-11,2'-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[3,2-b][1]benzothiole-11,2'-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-c1cc3sc4ccccc4c3cc12.C1=Cc2ccc(-c3ccc4c(c3)c3cccnc3n4-c3ncccn3)cc2C2(c3ccccc31)c1ccccc1-c1cc3sc4ccccc4c3cc12.C1=Cc2ccc(-c3ccc4c(c3)c3nc(-c5ccccc5)ccc3n4-c3ccccn3)cc2C2(c3ccccc31)c1ccccc1-c1c2ccc2c1sc1ccccc12.C1=Cc2ccc(-c3ccc4c(c3)c3ncccc3n4-c3ccccn3)cc2C2(c3ccccc31)c1ccccc1-c1c2ccc2c1sc1ccccc12.C1=Cc2ccc(-c3cnc4c(c3)c3ccccc3n4-c3ccccn3)cc2C2(c3ccccc31)c1ccccc1-c1c2ccc2c1sc1ccccc12.
What is the InChIKey of 2-phenyl-5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;9-pyridin-2-yl-3-spiro[fluoreno[4,3-b][1]benzothiole-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-pyridin-2-yl-6-spiro[fluoreno[3,2-b][1]benzothiole-11,2'-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[3,2-b][1]benzothiole-11,2'-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 ALOBUWQDTJEEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3S.3C49H29N3S.C48H28N4S/c1-2-13-36(14-3-1)47-28-30-49-53(57-47)42-32-37(25-29-48(42)58(49)51-20-10-11-31-56-51)38-24-23-35-22-21-34-12-4-7-17-43(34)55(46(35)33-38)44-18-8-5-16-41(44)52-45(55)27-26-40-39-15-6-9-19-50(39)59-54(40)52;1-5-15-39-30(11-1)20-21-31-22-23-32(33-27-38-34-12-3-7-17-43(34)52(48(38)51-29-33)45-19-9-10-26-50-45)28-42(31)49(39)40-16-6-2-14-37(40)46-41(49)25-24-36-35-13-4-8-18-44(35)53-47(36)46;1-4-13-38-30(10-1)18-19-31-20-21-33(32-22-25-42-37(28-32)47-43(15-9-27-51-47)52(42)45-17-7-8-26-50-45)29-41(31)49(38)39-14-5-2-12-36(39)46-40(49)24-23-35-34-11-3-6-16-44(34)53-48(35)46;1-4-14-40-30(10-1)18-19-31-20-21-33(32-22-23-44-38(26-32)36-13-9-25-51-48(36)52(44)47-17-7-8-24-50-47)27-42(31)49(40)41-15-5-2-11-34(41)37-29-46-39(28-43(37)49)35-12-3-6-16-45(35)53-46;1-4-13-39-29(9-1)16-17-30-18-19-32(31-20-21-43-37(25-31)35-12-7-22-49-46(35)52(43)47-50-23-8-24-51-47)26-41(30)48(39)40-14-5-2-10-33(40)36-28-45-38(27-42(36)48)34-11-3-6-15-44(34)53-45/h1-33H;3*1-29H;1-28H.
What are the key properties of 2-phenyl-5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;9-pyridin-2-yl-3-spiro[fluoreno[4,3-b][1]benzothiole-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-pyridin-2-yl-6-spiro[fluoreno[3,2-b][1]benzothiole-11,2'-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[3,2-b][1]benzothiole-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole?
2-phenyl-5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;9-pyridin-2-yl-3-spiro[fluoreno[4,3-b][1]benzothiole-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-pyridin-2-yl-6-spiro[fluoreno[3,2-b][1]benzothiole-11,2'-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[3,2-b][1]benzothiole-11,2'-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 3536.38 g/mol, XLogP of 63.34, 11 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;9-pyridin-2-yl-3-spiro[fluoreno[4,3-b][1]benzothiole-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-pyridin-2-yl-6-spiro[fluoreno[3,2-b][1]benzothiole-11,2'-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[3,2-b][1]benzothiole-11,2'-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 157153682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).