3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole;8-(2-pyridin-2-ylphenyl)-5-[3-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole;5-pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole

C168H101N17OS3 — CID 158925151

IUPAC3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole;8-(2-pyridin-2-ylphenyl)-5-[3-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole;5-pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole
SMILESc1ccc(-c2ccccc2-c2ccc3c(c2)c2ncccc2n3-c2cccc(-c3cccc4c3oc3ccc(-n5c6ccc(-c7ccccc7-c7ccccn7)cc6c6ncccc65)cc34)c2)nc1.c1ccc(-c2ccccc2-c2ccc3sc4c(-c5ccc6c(c5)c5cnccc5n6-c5ccccn5)cc(-c5ccc6c(c5)c5cnccc5n6-c5ccccn5)cc4c3c2)nc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cccc(-c6cccc7c6sc6c(-c8cccc9c8sc8ccccc89)cccc67)n5)n4)ccc32)nc1
InChIInChI=1S/C62H38N6O.C55H33N7S.C51H30N4S2/c1-3-17-47(53-21-5-7-31-63-53)44(15-1)40-25-28-55-51(36-40)60-57(23-11-33-65-60)67(55)42-14-9-13-39(35-42)46-19-10-20-49-50-38-43(27-30-59(50)69-62(46)49)68-56-29-26-41(37-52(56)61-58(68)24-12-34-66-61)45-16-2-4-18-48(45)54-22-6-8-32-64-54;1-2-10-39(47-11-3-6-22-58-47)38(9-1)35-16-19-52-43(29-35)44-31-37(34-14-17-48-41(27-34)45-32-56-25-20-50(45)61(48)53-12-4-7-23-59-53)30-40(55(44)63-52)36-15-18-49-42(28-36)46-33-57-26-21-51(46)62(49)54-13-5-8-24-60-54;1-3-24-45-32(12-1)40-30-31(27-28-46(40)55(45)48-26-5-6-29-52-48)41-20-10-22-43(53-41)44-23-11-21-42(54-44)39-19-9-18-38-37-17-8-16-36(50(37)57-51(38)39)35-15-7-14-34-33-13-2-4-25-47(33)56-49(34)35/h1-38H;1-33H;1-30H
InChIKeyJIIPCSDHEKRJQT-UHFFFAOYSA-N
MW2469.97 g/mol
LogP43.96
Rot. Bonds18

About 3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole;8-(2-pyridin-2-ylphenyl)-5-[3-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole;5-pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole

3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole;8-(2-pyridin-2-ylphenyl)-5-[3-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole;5-pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole (PubChem CID 158925151) has the molecular formula C168H101N17OS3 and a molecular weight of 2469.97 g/mol. Its IUPAC name is 3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole;8-(2-pyridin-2-ylphenyl)-5-[3-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole;5-pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole;8-(2-pyridin-2-ylphenyl)-5-[3-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole;5-pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole
PubChem CID158925151
Molecular FormulaC168H101N17OS3
Molecular Weight2469.97 g/mol
Exact Mass2467.75
IUPAC Name3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole;8-(2-pyridin-2-ylphenyl)-5-[3-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole;5-pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole
SMILESc1ccc(-c2ccccc2-c2ccc3c(c2)c2ncccc2n3-c2cccc(-c3cccc4c3oc3ccc(-n5c6ccc(-c7ccccc7-c7ccccn7)cc6c6ncccc65)cc34)c2)nc1.c1ccc(-c2ccccc2-c2ccc3sc4c(-c5ccc6c(c5)c5cnccc5n6-c5ccccn5)cc(-c5ccc6c(c5)c5cnccc5n6-c5ccccn5)cc4c3c2)nc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cccc(-c6cccc7c6sc6c(-c8cccc9c8sc8ccccc89)cccc67)n5)n4)ccc32)nc1
InChIInChI=1S/C62H38N6O.C55H33N7S.C51H30N4S2/c1-3-17-47(53-21-5-7-31-63-53)44(15-1)40-25-28-55-51(36-40)60-57(23-11-33-65-60)67(55)42-14-9-13-39(35-42)46-19-10-20-49-50-38-43(27-30-59(50)69-62(46)49)68-56-29-26-41(37-52(56)61-58(68)24-12-34-66-61)45-16-2-4-18-48(45)54-22-6-8-32-64-54;1-2-10-39(47-11-3-6-22-58-47)38(9-1)35-16-19-52-43(29-35)44-31-37(34-14-17-48-41(27-34)45-32-56-25-20-50(45)61(48)53-12-4-7-23-59-53)30-40(55(44)63-52)36-15-18-49-42(28-36)46-33-57-26-21-51(46)62(49)54-13-5-8-24-60-54;1-3-24-45-32(12-1)40-30-31(27-28-46(40)55(45)48-26-5-6-29-52-48)41-20-10-22-43(53-41)44-23-11-21-42(54-44)39-19-9-18-38-37-17-8-16-36(50(37)57-51(38)39)35-15-7-14-34-33-13-2-4-25-47(33)56-49(34)35/h1-38H;1-33H;1-30H
InChIKeyJIIPCSDHEKRJQT-UHFFFAOYSA-N
XLogP43.96
TPSA192.47 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms189
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002469.97
LogP ≤ 543.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole;8-(2-pyridin-2-ylphenyl)-5-[3-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole;5-pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole;8-(2-pyridin-2-ylphenyl)-5-[3-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole;5-pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole?
The IUPAC name of 3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole;8-(2-pyridin-2-ylphenyl)-5-[3-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole;5-pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole (CID 158925151) is 3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole;8-(2-pyridin-2-ylphenyl)-5-[3-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole;5-pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole.
What is the SMILES notation for 3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole;8-(2-pyridin-2-ylphenyl)-5-[3-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole;5-pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole?
The canonical SMILES for 3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole;8-(2-pyridin-2-ylphenyl)-5-[3-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole;5-pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole is c1ccc(-c2ccccc2-c2ccc3c(c2)c2ncccc2n3-c2cccc(-c3cccc4c3oc3ccc(-n5c6ccc(-c7ccccc7-c7ccccn7)cc6c6ncccc65)cc34)c2)nc1.c1ccc(-c2ccccc2-c2ccc3sc4c(-c5ccc6c(c5)c5cnccc5n6-c5ccccn5)cc(-c5ccc6c(c5)c5cnccc5n6-c5ccccn5)cc4c3c2)nc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cccc(-c6cccc7c6sc6c(-c8cccc9c8sc8ccccc89)cccc67)n5)n4)ccc32)nc1.
What is the InChIKey of 3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole;8-(2-pyridin-2-ylphenyl)-5-[3-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole;5-pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole?
The InChIKey is JIIPCSDHEKRJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N6O.C55H33N7S.C51H30N4S2/c1-3-17-47(53-21-5-7-31-63-53)44(15-1)40-25-28-55-51(36-40)60-57(23-11-33-65-60)67(55)42-14-9-13-39(35-42)46-19-10-20-49-50-38-43(27-30-59(50)69-62(46)49)68-56-29-26-41(37-52(56)61-58(68)24-12-34-66-61)45-16-2-4-18-48(45)54-22-6-8-32-64-54;1-2-10-39(47-11-3-6-22-58-47)38(9-1)35-16-19-52-43(29-35)44-31-37(34-14-17-48-41(27-34)45-32-56-25-20-50(45)61(48)53-12-4-7-23-59-53)30-40(55(44)63-52)36-15-18-49-42(28-36)46-33-57-26-21-51(46)62(49)54-13-5-8-24-60-54;1-3-24-45-32(12-1)40-30-31(27-28-46(40)55(45)48-26-5-6-29-52-48)41-20-10-22-43(53-41)44-23-11-21-42(54-44)39-19-9-18-38-37-17-8-16-36(50(37)57-51(38)39)35-15-7-14-34-33-13-2-4-25-47(33)56-49(34)35/h1-38H;1-33H;1-30H.
What are the key properties of 3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole;8-(2-pyridin-2-ylphenyl)-5-[3-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole;5-pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole?
3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole;8-(2-pyridin-2-ylphenyl)-5-[3-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole;5-pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole has a molecular weight of 2469.97 g/mol, XLogP of 43.96, 18 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole;8-(2-pyridin-2-ylphenyl)-5-[3-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole;5-pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole is sourced from PubChem (CID 158925151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).