9-(6-dibenzothiophen-2-yl-2-pyridinyl)-1-[3-[3-[9-(6-dibenzothiophen-2-yl-2-pyridinyl)carbazol-1-yl]phenyl]phenyl]carbazole

C70H42N4S2 — CID 89329937

IUPAC9-(6-dibenzothiophen-2-yl-2-pyridinyl)-1-[3-[3-[9-(6-dibenzothiophen-2-yl-2-pyridinyl)carbazol-1-yl]phenyl]phenyl]carbazole
SMILESc1cc(-c2cccc(-c3cccc4c5ccccc5n(-c5cccc(-c6ccc7sc8ccccc8c7c6)n5)c34)c2)cc(-c2cccc3c4ccccc4n(-c4cccc(-c5ccc6sc7ccccc7c6c5)n4)c23)c1
InChIInChI=1S/C70H42N4S2/c1-5-29-61-51(19-1)55-25-11-23-49(69(55)73(61)67-33-13-27-59(71-67)47-35-37-65-57(41-47)53-21-3-7-31-63(53)75-65)45-17-9-15-43(39-45)44-16-10-18-46(40-44)50-24-12-26-56-52-20-2-6-30-62(52)74(70(50)56)68-34-14-28-60(72-68)48-36-38-66-58(42-48)54-22-4-8-32-64(54)76-66/h1-42H
InChIKeyDZDNNGLIDIHHTI-UHFFFAOYSA-N
MW1003.27 g/mol
LogP19.74
Rot. Bonds7

About 9-(6-dibenzothiophen-2-yl-2-pyridinyl)-1-[3-[3-[9-(6-dibenzothiophen-2-yl-2-pyridinyl)carbazol-1-yl]phenyl]phenyl]carbazole

9-(6-dibenzothiophen-2-yl-2-pyridinyl)-1-[3-[3-[9-(6-dibenzothiophen-2-yl-2-pyridinyl)carbazol-1-yl]phenyl]phenyl]carbazole (PubChem CID 89329937) has the molecular formula C70H42N4S2 and a molecular weight of 1003.27 g/mol. Its IUPAC name is 9-(6-dibenzothiophen-2-yl-2-pyridinyl)-1-[3-[3-[9-(6-dibenzothiophen-2-yl-2-pyridinyl)carbazol-1-yl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-(6-dibenzothiophen-2-yl-2-pyridinyl)-1-[3-[3-[9-(6-dibenzothiophen-2-yl-2-pyridinyl)carbazol-1-yl]phenyl]phenyl]carbazole
PubChem CID89329937
Molecular FormulaC70H42N4S2
Molecular Weight1003.27 g/mol
Exact Mass1002.29
IUPAC Name9-(6-dibenzothiophen-2-yl-2-pyridinyl)-1-[3-[3-[9-(6-dibenzothiophen-2-yl-2-pyridinyl)carbazol-1-yl]phenyl]phenyl]carbazole
SMILESc1cc(-c2cccc(-c3cccc4c5ccccc5n(-c5cccc(-c6ccc7sc8ccccc8c7c6)n5)c34)c2)cc(-c2cccc3c4ccccc4n(-c4cccc(-c5ccc6sc7ccccc7c6c5)n4)c23)c1
InChIInChI=1S/C70H42N4S2/c1-5-29-61-51(19-1)55-25-11-23-49(69(55)73(61)67-33-13-27-59(71-67)47-35-37-65-57(41-47)53-21-3-7-31-63(53)75-65)45-17-9-15-43(39-45)44-16-10-18-46(40-44)50-24-12-26-56-52-20-2-6-30-62(52)74(70(50)56)68-34-14-28-60(72-68)48-36-38-66-58(42-48)54-22-4-8-32-64(54)76-66/h1-42H
InChIKeyDZDNNGLIDIHHTI-UHFFFAOYSA-N
XLogP19.74
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001003.27
LogP ≤ 519.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-(6-dibenzothiophen-2-yl-2-pyridinyl)-3,6-diphenylcarbazole
CID 132552465
11-(6-carbazol-9-yl-2-pyridinyl)-5-phenylindolo[3,2-b]carbazole;5-(3-dibenzothiophen-2-ylphenyl)-11-(6-phenyl-2-pyridinyl)indolo[3,2-b]carbazole;5-phenyl-11-[6-(9-phenylcarbazol-3-yl)-2-pyridinyl]indolo[3,2-b]carbazole
CID 160662637
5,11-bis[4-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-b]carbazole;12-(6-carbazol-9-yl-2-pyridinyl)-11-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole;12-(6-carbazol-9-yl-2-pyridinyl)-11-phenylindolo[2,3-a]carbazole;11-(3-dibenzothiophen-2-ylphenyl)-12-(6-phenyl-2-pyridinyl)indolo[2,3-a]carbazole
CID 160790667
9-[4-carbazol-9-yl-6-[3-(4-dibenzothiophen-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 166825982
6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-1-phenyl-9-(2-phenylphenyl)carbazole
CID 170072459
1-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568323
1-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568439
12-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 166591679
9-[3-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]-1-dibenzothiophen-2-ylcarbazole
CID 163483112
9-[8-(6-dibenzothiophen-2-yl-2-pyridinyl)dibenzofuran-2-yl]carbazole
CID 89433743
1-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-9-(4-phenylphenyl)carbazole
CID 139496848
12-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)-11-phenylindolo[2,3-a]carbazole
CID 90085719

Frequently Asked Questions

What is the IUPAC name of 9-(6-dibenzothiophen-2-yl-2-pyridinyl)-1-[3-[3-[9-(6-dibenzothiophen-2-yl-2-pyridinyl)carbazol-1-yl]phenyl]phenyl]carbazole?
The IUPAC name of 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) is 9-(6-dibenzothiophen-2-yl-2-pyridinyl)-1-[3-[3-[9-(6-dibenzothiophen-2-yl-2-pyridinyl)carbazol-1-yl]phenyl]phenyl]carbazole.
What is the SMILES notation for 9-(6-dibenzothiophen-2-yl-2-pyridinyl)-1-[3-[3-[9-(6-dibenzothiophen-2-yl-2-pyridinyl)carbazol-1-yl]phenyl]phenyl]carbazole?
The canonical SMILES for 9-(6-dibenzothiophen-2-yl-2-pyridinyl)-1-[3-[3-[9-(6-dibenzothiophen-2-yl-2-pyridinyl)carbazol-1-yl]phenyl]phenyl]carbazole is c1cc(-c2cccc(-c3cccc4c5ccccc5n(-c5cccc(-c6ccc7sc8ccccc8c7c6)n5)c34)c2)cc(-c2cccc3c4ccccc4n(-c4cccc(-c5ccc6sc7ccccc7c6c5)n4)c23)c1.
What is the InChIKey of 9-(6-dibenzothiophen-2-yl-2-pyridinyl)-1-[3-[3-[9-(6-dibenzothiophen-2-yl-2-pyridinyl)carbazol-1-yl]phenyl]phenyl]carbazole?
The InChIKey is DZDNNGLIDIHHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42N4S2/c1-5-29-61-51(19-1)55-25-11-23-49(69(55)73(61)67-33-13-27-59(71-67)47-35-37-65-57(41-47)53-21-3-7-31-63(53)75-65)45-17-9-15-43(39-45)44-16-10-18-46(40-44)50-24-12-26-56-52-20-2-6-30-62(52)74(70(50)56)68-34-14-28-60(72-68)48-36-38-66-58(42-48)54-22-4-8-32-64(54)76-66/h1-42H.
What are the key properties of 9-(6-dibenzothiophen-2-yl-2-pyridinyl)-1-[3-[3-[9-(6-dibenzothiophen-2-yl-2-pyridinyl)carbazol-1-yl]phenyl]phenyl]carbazole?
9-(6-dibenzothiophen-2-yl-2-pyridinyl)-1-[3-[3-[9-(6-dibenzothiophen-2-yl-2-pyridinyl)carbazol-1-yl]phenyl]phenyl]carbazole has a molecular weight of 1003.27 g/mol, XLogP of 19.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-dibenzothiophen-2-yl-2-pyridinyl)-1-[3-[3-[9-(6-dibenzothiophen-2-yl-2-pyridinyl)carbazol-1-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 89329937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).