3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole;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

C106H63N11S3 — CID 158119050

IUPAC3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole;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-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/C55H33N7S.C51H30N4S2/c1-2-10-39(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/h1-33H;1-30H
InChIKeyFRJNEPGUKWHMEZ-UHFFFAOYSA-N
MW1586.95 g/mol
LogP28.26
Rot. Bonds11

About 3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole;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;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 158119050) has the molecular formula C106H63N11S3 and a molecular weight of 1586.95 g/mol. Its IUPAC name is 3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole;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;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 CID158119050
Molecular FormulaC106H63N11S3
Molecular Weight1586.95 g/mol
Exact Mass1585.44
IUPAC Name3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole;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-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/C55H33N7S.C51H30N4S2/c1-2-10-39(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/h1-33H;1-30H
InChIKeyFRJNEPGUKWHMEZ-UHFFFAOYSA-N
XLogP28.26
TPSA117.91 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001586.95
LogP ≤ 528.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole;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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Related Compounds

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
3-[3-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-pyridin-2-ylcarbazole
CID 118651048
5-[6-[6-(2-naphthalen-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole
CID 59480434
5-[4-dibenzothiophen-4-yl-2,6-bis(3,6-diphenylcarbazol-9-yl)-5-pyrido[4,3-b]indol-5-yl-3-pyridinyl]pyrido[4,3-b]indole
CID 150006227
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[4,3-b]indole
CID 134251886
3-dibenzothiophen-4-yl-9-[3-[6-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazole
CID 153214639
9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole
CID 123499174
3-[2,8-bis(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;6-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4,12-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;3-[2,8-di(carbazol-9-yl)dibenzothiophen-4-yl]-9-[6-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]carbazole
CID 159845529
9-(6-dibenzothiophen-2-yl-2-pyridinyl)-3,6-diphenylcarbazole
CID 132552465
5-[6-[6-(3,5-diphenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole
CID 59480357
3-[9-(6-dibenzothiophen-4-yl-4-phenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole
CID 126627612
9-(6-dibenzothiophen-2-yl-2-pyridinyl)-1-[3-[3-[9-(6-dibenzothiophen-2-yl-2-pyridinyl)carbazol-1-yl]phenyl]phenyl]carbazole
CID 89329937

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;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;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 158119050) is 3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole;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;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;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-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;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 FRJNEPGUKWHMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N7S.C51H30N4S2/c1-2-10-39(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/h1-33H;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;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;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 1586.95 g/mol, XLogP of 28.26, 11 rotatable bonds, 0 hydrogen bond donors, and 14 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;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 158119050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).