About 4-[dibenzofuran-4-yl-[15-(N-dibenzofuran-4-yl-4-isocyanoanilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]amino]benzonitrile;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(2,4-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(3,5-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(2-fluoro-4,6-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
4-[dibenzofuran-4-yl-[15-(N-dibenzofuran-4-yl-4-isocyanoanilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]amino]benzonitrile;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(2,4-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(3,5-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(2-fluoro-4,6-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine (PubChem CID 158506580) has the molecular formula C298H180F2N10O12
and a molecular weight of 4130.77 g/mol. Its IUPAC name is 4-[dibenzofuran-4-yl-[15-(N-dibenzofuran-4-yl-4-isocyanoanilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]amino]benzonitrile;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(2,4-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(3,5-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(2-fluoro-4,6-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine.
Frequently Asked Questions
What is the IUPAC name of 4-[dibenzofuran-4-yl-[15-(N-dibenzofuran-4-yl-4-isocyanoanilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]amino]benzonitrile;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(2,4-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(3,5-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(2-fluoro-4,6-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
The IUPAC name of 4-[dibenzofuran-4-yl-[15-(N-dibenzofuran-4-yl-4-isocyanoanilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]amino]benzonitrile;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(2,4-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(3,5-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(2-fluoro-4,6-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine (CID 158506580) is 4-[dibenzofuran-4-yl-[15-(N-dibenzofuran-4-yl-4-isocyanoanilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]amino]benzonitrile;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(2,4-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(3,5-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(2-fluoro-4,6-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine.
What is the SMILES notation for 4-[dibenzofuran-4-yl-[15-(N-dibenzofuran-4-yl-4-isocyanoanilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]amino]benzonitrile;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(2,4-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(3,5-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(2-fluoro-4,6-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
The canonical SMILES for 4-[dibenzofuran-4-yl-[15-(N-dibenzofuran-4-yl-4-isocyanoanilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]amino]benzonitrile;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(2,4-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(3,5-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(2-fluoro-4,6-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine is Fc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1cc2oc3cc(N(c4c(F)cc(-c5ccccc5)cc4-c4ccccc4)c4cccc5c4oc4ccccc45)c4ccccc4c3c2c2ccccc12)c1cccc2c1oc1ccccc12.[C-]#[N+]c1ccc(N(c2cc3oc4cc(N(c5ccc(C#N)cc5)c5cccc6c5oc5ccccc56)c5ccccc5c4c3c3ccccc23)c2cccc3c2oc2ccccc23)cc1.c1ccc(-c2cc(-c3ccccc3)cc(N(c3cc4oc5cc(N(c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6cccc7c6oc6ccccc67)c6ccccc6c5c4c4ccccc34)c3cccc4c3oc3ccccc34)c2)cc1.c1ccc(-c2ccc(N(c3cc4oc5cc(N(c6ccc(-c7ccccc7)cc6-c6ccccc6)c6cccc7c6oc6ccccc67)c6ccccc6c5c4c4ccccc34)c3cccc4c3oc3ccccc34)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-[dibenzofuran-4-yl-[15-(N-dibenzofuran-4-yl-4-isocyanoanilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]amino]benzonitrile;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(2,4-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(3,5-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(2-fluoro-4,6-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
The InChIKey is HKNOPWMCSLNYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H48F2N2O3.2C80H50N2O3.C58H32N4O3/c81-65-45-53(49-23-5-1-6-24-49)43-63(51-27-9-3-10-28-51)77(65)83(67-39-21-37-61-57-33-17-19-41-71(57)86-79(61)67)69-47-73-75(59-35-15-13-31-55(59)69)76-60-36-16-14-32-56(60)70(48-74(76)85-73)84(68-40-22-38-62-58-34-18-20-42-72(58)87-80(62)68)78-64(52-29-11-4-12-30-52)44-54(46-66(78)82)50-25-7-2-8-26-50;1-5-23-51(24-6-1)55-43-56(52-25-7-2-8-26-52)46-59(45-55)81(69-39-21-37-67-63-33-17-19-41-73(63)84-79(67)69)71-49-75-77(65-35-15-13-31-61(65)71)78-66-36-16-14-32-62(66)72(50-76(78)83-75)82(70-40-22-38-68-64-34-18-20-42-74(64)85-80(68)70)60-47-57(53-27-9-3-10-28-53)44-58(48-60)54-29-11-4-12-30-54;1-5-23-51(24-6-1)55-43-45-67(65(47-55)53-27-9-3-10-28-53)81(69-39-21-37-63-59-33-17-19-41-73(59)84-79(63)69)71-49-75-77(61-35-15-13-31-57(61)71)78-62-36-16-14-32-58(62)72(50-76(78)83-75)82(70-40-22-38-64-60-34-18-20-42-74(60)85-80(64)70)68-46-44-56(52-25-7-2-8-26-52)48-66(68)54-29-11-4-12-30-54;1-60-36-26-30-38(31-27-36)62(48-21-11-19-46-42-15-7-9-23-52(42)65-58(46)48)50-33-54-56(44-17-5-3-13-40(44)50)55-43-16-4-2-12-39(43)49(32-53(55)63-54)61(37-28-24-35(34-59)25-29-37)47-20-10-18-45-41-14-6-8-22-51(41)64-57(45)47/h1-48H;2*1-50H;2-33H.
What are the key properties of 4-[dibenzofuran-4-yl-[15-(N-dibenzofuran-4-yl-4-isocyanoanilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]amino]benzonitrile;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(2,4-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(3,5-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(2-fluoro-4,6-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
4-[dibenzofuran-4-yl-[15-(N-dibenzofuran-4-yl-4-isocyanoanilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]amino]benzonitrile;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(2,4-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(3,5-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(2-fluoro-4,6-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine has a molecular weight of 4130.77 g/mol, XLogP of 87.23, 36 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dibenzofuran-4-yl-[15-(N-dibenzofuran-4-yl-4-isocyanoanilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]amino]benzonitrile;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(2,4-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(3,5-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(2-fluoro-4,6-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine is sourced from PubChem (CID 158506580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).