3,6-di(carbazol-9-yl)-9-[5-[[6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-pyridinyl]sulfonyl]-2-pyridinyl]carbazole

C82H50N8O2S — CID 146209391

IUPAC3,6-di(carbazol-9-yl)-9-[5-[[6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-pyridinyl]sulfonyl]-2-pyridinyl]carbazole
SMILESO=S(=O)(c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)nc1)c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)nc1
InChIInChI=1S/C82H50N8O2S/c91-93(92,55-37-43-81(83-49-55)89-77-39-33-51(85-69-25-9-1-17-57(69)58-18-2-10-26-70(58)85)45-65(77)66-46-52(34-40-78(66)89)86-71-27-11-3-19-59(71)60-20-4-12-28-72(60)86)56-38-44-82(84-50-56)90-79-41-35-53(87-73-29-13-5-21-61(73)62-22-6-14-30-74(62)87)47-67(79)68-48-54(36-42-80(68)90)88-75-31-15-7-23-63(75)64-24-8-16-32-76(64)88/h1-50H
InChIKeyNTICNKGZFADPRN-UHFFFAOYSA-N
MW1211.42 g/mol
LogP19.89
Rot. Bonds8

About 3,6-di(carbazol-9-yl)-9-[5-[[6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-pyridinyl]sulfonyl]-2-pyridinyl]carbazole

3,6-di(carbazol-9-yl)-9-[5-[[6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-pyridinyl]sulfonyl]-2-pyridinyl]carbazole (PubChem CID 146209391) has the molecular formula C82H50N8O2S and a molecular weight of 1211.42 g/mol. Its IUPAC name is 3,6-di(carbazol-9-yl)-9-[5-[[6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-pyridinyl]sulfonyl]-2-pyridinyl]carbazole.

Molecular Properties

Compound Name3,6-di(carbazol-9-yl)-9-[5-[[6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-pyridinyl]sulfonyl]-2-pyridinyl]carbazole
PubChem CID146209391
Molecular FormulaC82H50N8O2S
Molecular Weight1211.42 g/mol
Exact Mass1210.38
IUPAC Name3,6-di(carbazol-9-yl)-9-[5-[[6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-pyridinyl]sulfonyl]-2-pyridinyl]carbazole
SMILESO=S(=O)(c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)nc1)c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)nc1
InChIInChI=1S/C82H50N8O2S/c91-93(92,55-37-43-81(83-49-55)89-77-39-33-51(85-69-25-9-1-17-57(69)58-18-2-10-26-70(58)85)45-65(77)66-46-52(34-40-78(66)89)86-71-27-11-3-19-59(71)60-20-4-12-28-72(60)86)56-38-44-82(84-50-56)90-79-41-35-53(87-73-29-13-5-21-61(73)62-22-6-14-30-74(62)87)47-67(79)68-48-54(36-42-80(68)90)88-75-31-15-7-23-63(75)64-24-8-16-32-76(64)88/h1-50H
InChIKeyNTICNKGZFADPRN-UHFFFAOYSA-N
XLogP19.89
TPSA89.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001211.42
LogP ≤ 519.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3,6-di(carbazol-9-yl)-9-[5-[[6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-pyridinyl]sulfonyl]-2-pyridinyl]carbazole?
The IUPAC name of 3,6-di(carbazol-9-yl)-9-[5-[[6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-pyridinyl]sulfonyl]-2-pyridinyl]carbazole (CID 146209391) is 3,6-di(carbazol-9-yl)-9-[5-[[6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-pyridinyl]sulfonyl]-2-pyridinyl]carbazole.
What is the SMILES notation for 3,6-di(carbazol-9-yl)-9-[5-[[6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-pyridinyl]sulfonyl]-2-pyridinyl]carbazole?
The canonical SMILES for 3,6-di(carbazol-9-yl)-9-[5-[[6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-pyridinyl]sulfonyl]-2-pyridinyl]carbazole is O=S(=O)(c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)nc1)c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)nc1.
What is the InChIKey of 3,6-di(carbazol-9-yl)-9-[5-[[6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-pyridinyl]sulfonyl]-2-pyridinyl]carbazole?
The InChIKey is NTICNKGZFADPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H50N8O2S/c91-93(92,55-37-43-81(83-49-55)89-77-39-33-51(85-69-25-9-1-17-57(69)58-18-2-10-26-70(58)85)45-65(77)66-46-52(34-40-78(66)89)86-71-27-11-3-19-59(71)60-20-4-12-28-72(60)86)56-38-44-82(84-50-56)90-79-41-35-53(87-73-29-13-5-21-61(73)62-22-6-14-30-74(62)87)47-67(79)68-48-54(36-42-80(68)90)88-75-31-15-7-23-63(75)64-24-8-16-32-76(64)88/h1-50H.
What are the key properties of 3,6-di(carbazol-9-yl)-9-[5-[[6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-pyridinyl]sulfonyl]-2-pyridinyl]carbazole?
3,6-di(carbazol-9-yl)-9-[5-[[6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-pyridinyl]sulfonyl]-2-pyridinyl]carbazole has a molecular weight of 1211.42 g/mol, XLogP of 19.89, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(carbazol-9-yl)-9-[5-[[6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-pyridinyl]sulfonyl]-2-pyridinyl]carbazole is sourced from PubChem (CID 146209391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).