About 3-[3-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-5-(4-tert-butyl-5-methyl-2-pyridinyl)-[1]benzothiolo[3,2-c]carbazole
3-[3-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-5-(4-tert-butyl-5-methyl-2-pyridinyl)-[1]benzothiolo[3,2-c]carbazole (PubChem CID 176641806) has the molecular formula C95H78N4OS
and a molecular weight of 1323.76 g/mol. Its IUPAC name is 3-[3-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-5-(4-tert-butyl-5-methyl-2-pyridinyl)-[1]benzothiolo[3,2-c]carbazole.
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Frequently Asked Questions
What is the IUPAC name of 3-[3-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-5-(4-tert-butyl-5-methyl-2-pyridinyl)-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 3-[3-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-5-(4-tert-butyl-5-methyl-2-pyridinyl)-[1]benzothiolo[3,2-c]carbazole (CID 176641806) is 3-[3-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-5-(4-tert-butyl-5-methyl-2-pyridinyl)-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 3-[3-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-5-(4-tert-butyl-5-methyl-2-pyridinyl)-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 3-[3-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-5-(4-tert-butyl-5-methyl-2-pyridinyl)-[1]benzothiolo[3,2-c]carbazole is Cc1cnc(-n2c3cc(Oc4cc(-c5c(C(C)C)cccc5C(C)C)cc(N5CN(c6c(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)cccc6-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6ccccc65)c4)ccc3c3c4sc5ccccc5c4ccc32)cc1C(C)(C)C.
What is the InChIKey of 3-[3-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-5-(4-tert-butyl-5-methyl-2-pyridinyl)-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is XQPSENIPXCDLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C95H78N4OS/c1-60(2)77-36-25-37-78(61(3)4)91(77)73-53-74(55-76(54-73)100-75-43-44-83-88(56-75)99(90-57-84(95(6,7)8)62(5)58-96-90)87-46-45-82-81-35-21-24-42-89(81)101-94(82)92(83)87)97-59-98(86-41-23-22-40-85(86)97)93-79(71-49-67(63-27-13-9-14-28-63)47-68(50-71)64-29-15-10-16-30-64)38-26-39-80(93)72-51-69(65-31-17-11-18-32-65)48-70(52-72)66-33-19-12-20-34-66/h9-58,60-61H,59H2,1-8H3.
What are the key properties of 3-[3-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-5-(4-tert-butyl-5-methyl-2-pyridinyl)-[1]benzothiolo[3,2-c]carbazole?
3-[3-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-5-(4-tert-butyl-5-methyl-2-pyridinyl)-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 1323.76 g/mol, XLogP of 27.11, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-5-(4-tert-butyl-5-methyl-2-pyridinyl)-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 176641806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).