About 6-[7-[3-(3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-2-tert-butylphenyl]tetraphenylen-2-yl]-[1]benzofuro[2,3-b]pyrazine;2-(12-tert-butyl-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-6-(1-tert-butyl-7-dibenzofuran-4-yltetraphenylen-2-yl)benzonitrile;6-[2,4,6-tritert-butyl-3-(7-dibenzofuran-4-yltetraphenylen-2-yl)phenyl]tetraphenylene-2-carbonitrile
6-[7-[3-(3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-2-tert-butylphenyl]tetraphenylen-2-yl]-[1]benzofuro[2,3-b]pyrazine;2-(12-tert-butyl-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-6-(1-tert-butyl-7-dibenzofuran-4-yltetraphenylen-2-yl)benzonitrile;6-[2,4,6-tritert-butyl-3-(7-dibenzofuran-4-yltetraphenylen-2-yl)phenyl]tetraphenylene-2-carbonitrile (PubChem CID 157059226) has the molecular formula C220H162N6O3
and a molecular weight of 2937.75 g/mol. Its IUPAC name is 6-[7-[3-(3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-2-tert-butylphenyl]tetraphenylen-2-yl]-[1]benzofuro[2,3-b]pyrazine;2-(12-tert-butyl-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-6-(1-tert-butyl-7-dibenzofuran-4-yltetraphenylen-2-yl)benzonitrile;6-[2,4,6-tritert-butyl-3-(7-dibenzofuran-4-yltetraphenylen-2-yl)phenyl]tetraphenylene-2-carbonitrile.
Frequently Asked Questions
What is the IUPAC name of 6-[7-[3-(3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-2-tert-butylphenyl]tetraphenylen-2-yl]-[1]benzofuro[2,3-b]pyrazine;2-(12-tert-butyl-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-6-(1-tert-butyl-7-dibenzofuran-4-yltetraphenylen-2-yl)benzonitrile;6-[2,4,6-tritert-butyl-3-(7-dibenzofuran-4-yltetraphenylen-2-yl)phenyl]tetraphenylene-2-carbonitrile?
The IUPAC name of 6-[7-[3-(3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-2-tert-butylphenyl]tetraphenylen-2-yl]-[1]benzofuro[2,3-b]pyrazine;2-(12-tert-butyl-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-6-(1-tert-butyl-7-dibenzofuran-4-yltetraphenylen-2-yl)benzonitrile;6-[2,4,6-tritert-butyl-3-(7-dibenzofuran-4-yltetraphenylen-2-yl)phenyl]tetraphenylene-2-carbonitrile (CID 157059226) is 6-[7-[3-(3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-2-tert-butylphenyl]tetraphenylen-2-yl]-[1]benzofuro[2,3-b]pyrazine;2-(12-tert-butyl-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-6-(1-tert-butyl-7-dibenzofuran-4-yltetraphenylen-2-yl)benzonitrile;6-[2,4,6-tritert-butyl-3-(7-dibenzofuran-4-yltetraphenylen-2-yl)phenyl]tetraphenylene-2-carbonitrile.
What is the SMILES notation for 6-[7-[3-(3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-2-tert-butylphenyl]tetraphenylen-2-yl]-[1]benzofuro[2,3-b]pyrazine;2-(12-tert-butyl-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-6-(1-tert-butyl-7-dibenzofuran-4-yltetraphenylen-2-yl)benzonitrile;6-[2,4,6-tritert-butyl-3-(7-dibenzofuran-4-yltetraphenylen-2-yl)phenyl]tetraphenylene-2-carbonitrile?
The canonical SMILES for 6-[7-[3-(3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-2-tert-butylphenyl]tetraphenylen-2-yl]-[1]benzofuro[2,3-b]pyrazine;2-(12-tert-butyl-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-6-(1-tert-butyl-7-dibenzofuran-4-yltetraphenylen-2-yl)benzonitrile;6-[2,4,6-tritert-butyl-3-(7-dibenzofuran-4-yltetraphenylen-2-yl)phenyl]tetraphenylene-2-carbonitrile is CC(C)(C)c1c(-c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2cc(-c4cccc5c4oc4nccnc45)ccc2-3)cccc1-c1ccc2c(c1)-c1ccccc1-c1ccccc1-c1ncccc1-2.CC(C)(C)c1c(-c2cccc(-c3ccc4c(c3C(C)(C)C)-c3ccccc3-c3ccccc3-c3ncccc3-4)c2C#N)ccc2c1-c1ccccc1-c1ccccc1-c1cc(-c3cccc4c3oc3ccccc34)ccc1-2.CC(C)(C)c1cc(C(C)(C)C)c(-c2ccc3c(c2)-c2ccc(C#N)cc2-c2ccccc2-c2ccccc2-3)c(C(C)(C)C)c1-c1ccc2c(c1)-c1ccccc1-c1ccccc1-c1cc(-c3cccc4c3oc3ccccc34)ccc1-2.
What is the InChIKey of 6-[7-[3-(3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-2-tert-butylphenyl]tetraphenylen-2-yl]-[1]benzofuro[2,3-b]pyrazine;2-(12-tert-butyl-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-6-(1-tert-butyl-7-dibenzofuran-4-yltetraphenylen-2-yl)benzonitrile;6-[2,4,6-tritert-butyl-3-(7-dibenzofuran-4-yltetraphenylen-2-yl)phenyl]tetraphenylene-2-carbonitrile?
The InChIKey is ABCWMQLALDLXFZ-MLWZXFSISA-N. The full InChI is InChI=1S/C79H63NO.C74H54N2O.C67H45N3O/c1-77(2,3)70-45-71(78(4,5)6)74(50-35-39-60-56-25-11-10-21-52(56)53-22-12-15-26-57(53)66-41-47(46-80)33-37-63(66)69(60)44-50)75(79(7,8)9)73(70)49-36-40-62-61-38-34-48(51-30-20-31-65-64-29-18-19-32-72(64)81-76(51)65)42-67(61)58-27-16-13-23-54(58)55-24-14-17-28-59(55)68(62)43-49;1-73(2,3)69-59(51-30-18-31-52(65(51)43-75)60-40-38-58-62-33-19-41-76-71(62)61-28-14-11-23-49(61)48-22-10-13-27-56(48)68(58)70(60)74(4,5)6)39-37-57-53-36-35-44(45-29-17-32-63-54-25-15-16-34-66(54)77-72(45)63)42-64(53)50-24-8-7-20-46(50)47-21-9-12-26-55(47)67(57)69;1-67(2,3)62-43(23-12-24-44(62)41-29-33-55-57-27-14-34-68-63(57)56-22-11-10-18-49(56)48-17-6-9-21-52(48)61(55)38-41)40-28-31-53-54-32-30-42(45-25-13-26-58-64-66(71-65(45)58)70-36-35-69-64)39-60(54)51-20-8-5-16-47(51)46-15-4-7-19-50(46)59(53)37-40/h10-45H,1-9H3;7-42H,1-6H3;4-39H,1-3H3/b53-52-,55-54-,60-56-,62-61-,66-57-,67-58-,68-59-,69-63-;47-46-,49-48-,57-53-,62-58-,64-50-,67-55+,68-56+,71-61+;47-46-,49-48-,54-53-,57-55-,59-50-,60-51-,61-52-,63-56+.
What are the key properties of 6-[7-[3-(3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-2-tert-butylphenyl]tetraphenylen-2-yl]-[1]benzofuro[2,3-b]pyrazine;2-(12-tert-butyl-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-6-(1-tert-butyl-7-dibenzofuran-4-yltetraphenylen-2-yl)benzonitrile;6-[2,4,6-tritert-butyl-3-(7-dibenzofuran-4-yltetraphenylen-2-yl)phenyl]tetraphenylene-2-carbonitrile?
6-[7-[3-(3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-2-tert-butylphenyl]tetraphenylen-2-yl]-[1]benzofuro[2,3-b]pyrazine;2-(12-tert-butyl-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-6-(1-tert-butyl-7-dibenzofuran-4-yltetraphenylen-2-yl)benzonitrile;6-[2,4,6-tritert-butyl-3-(7-dibenzofuran-4-yltetraphenylen-2-yl)phenyl]tetraphenylene-2-carbonitrile has a molecular weight of 2937.75 g/mol, XLogP of 60.76, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-[3-(3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-2-tert-butylphenyl]tetraphenylen-2-yl]-[1]benzofuro[2,3-b]pyrazine;2-(12-tert-butyl-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-6-(1-tert-butyl-7-dibenzofuran-4-yltetraphenylen-2-yl)benzonitrile;6-[2,4,6-tritert-butyl-3-(7-dibenzofuran-4-yltetraphenylen-2-yl)phenyl]tetraphenylene-2-carbonitrile is sourced from PubChem (CID 157059226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).