About N-(4-carbazol-9-ylphenyl)-N-[4-[14-(2,3,4,5,6-pentadeuteriophenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl]phenyl]dibenzothiophen-2-amine;9,9-dimethyl-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-[16-(2,3,4,5,6-pentadeuteriophenyl)-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl]phenyl]fluoren-3-amine;N-(4-fluorophenyl)-5-phenyl-N-[4-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine;N-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzofuran-2-amine
N-(4-carbazol-9-ylphenyl)-N-[4-[14-(2,3,4,5,6-pentadeuteriophenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl]phenyl]dibenzothiophen-2-amine;9,9-dimethyl-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-[16-(2,3,4,5,6-pentadeuteriophenyl)-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl]phenyl]fluoren-3-amine;N-(4-fluorophenyl)-5-phenyl-N-[4-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine;N-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzofuran-2-amine (PubChem CID 161171383) has the molecular formula C229H145FN10OS5
and a molecular weight of 3252.20 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-[4-[14-(2,3,4,5,6-pentadeuteriophenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl]phenyl]dibenzothiophen-2-amine;9,9-dimethyl-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-[16-(2,3,4,5,6-pentadeuteriophenyl)-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl]phenyl]fluoren-3-amine;N-(4-fluorophenyl)-5-phenyl-N-[4-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine;N-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzofuran-2-amine.
Frequently Asked Questions
What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-[4-[14-(2,3,4,5,6-pentadeuteriophenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl]phenyl]dibenzothiophen-2-amine;9,9-dimethyl-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-[16-(2,3,4,5,6-pentadeuteriophenyl)-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl]phenyl]fluoren-3-amine;N-(4-fluorophenyl)-5-phenyl-N-[4-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine;N-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzofuran-2-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-[4-[14-(2,3,4,5,6-pentadeuteriophenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl]phenyl]dibenzothiophen-2-amine;9,9-dimethyl-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-[16-(2,3,4,5,6-pentadeuteriophenyl)-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl]phenyl]fluoren-3-amine;N-(4-fluorophenyl)-5-phenyl-N-[4-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine;N-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzofuran-2-amine (CID 161171383) is N-(4-carbazol-9-ylphenyl)-N-[4-[14-(2,3,4,5,6-pentadeuteriophenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl]phenyl]dibenzothiophen-2-amine;9,9-dimethyl-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-[16-(2,3,4,5,6-pentadeuteriophenyl)-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl]phenyl]fluoren-3-amine;N-(4-fluorophenyl)-5-phenyl-N-[4-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine;N-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-[4-[14-(2,3,4,5,6-pentadeuteriophenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl]phenyl]dibenzothiophen-2-amine;9,9-dimethyl-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-[16-(2,3,4,5,6-pentadeuteriophenyl)-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl]phenyl]fluoren-3-amine;N-(4-fluorophenyl)-5-phenyl-N-[4-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine;N-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-[4-[14-(2,3,4,5,6-pentadeuteriophenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl]phenyl]dibenzothiophen-2-amine;9,9-dimethyl-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-[16-(2,3,4,5,6-pentadeuteriophenyl)-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl]phenyl]fluoren-3-amine;N-(4-fluorophenyl)-5-phenyl-N-[4-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine;N-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzofuran-2-amine is Fc1ccc(N(c2ccc(-c3ccc4c5cc6c(ccc7sc8ccccc8c76)cc5n(-c5ccccc5)c4c3)cc2)c2ccc3c4cc5ccccc5cc4n(-c4ccccc4)c3c2)cc1.[2H]c1c([2H])c([2H])c(-n2c3ccc(-c4ccc(N(c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccc6sc7ccccc7c6c5)cc4)cc3c3c4c(ccc32)sc2ccccc24)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(N(c2ccc(-c3ccc4c(c3)c3cc5c(ccc6sc7ccccc7c65)cc3n4-c3c([2H])c([2H])c([2H])c([2H])c3[2H])cc2)c2ccc3c(c2)-c2ccccc2C3(C)C)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(N(c2ccc(-c3ccc4c(c3)c3cc5c(ccc6sc7ccccc7c65)cc3n4-c3ccccc3)cc2)c2ccc3oc4ccccc4c3c2)c([2H])c1[2H].
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-[4-[14-(2,3,4,5,6-pentadeuteriophenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl]phenyl]dibenzothiophen-2-amine;9,9-dimethyl-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-[16-(2,3,4,5,6-pentadeuteriophenyl)-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl]phenyl]fluoren-3-amine;N-(4-fluorophenyl)-5-phenyl-N-[4-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine;N-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzofuran-2-amine?
The InChIKey is URFKRIVGFCKBDP-SUUWEUMBSA-N. The full InChI is InChI=1S/C62H38FN3S.C60H37N3S2.C55H38N2S.C52H32N2OS/c63-44-23-27-48(28-24-44)64(49-29-31-51-54-33-40-11-7-8-12-41(40)34-57(54)66(59(51)37-49)46-15-5-2-6-16-46)47-25-19-39(20-26-47)42-21-30-50-55-38-53-43(22-32-61-62(53)52-17-9-10-18-60(52)67-61)36-58(55)65(56(50)35-42)45-13-3-1-4-14-45;1-2-12-40(13-3-1)63-53-32-24-39(36-50(53)59-54(63)33-35-58-60(59)48-17-7-11-21-56(48)65-58)38-22-25-41(26-23-38)61(44-31-34-57-49(37-44)47-16-6-10-20-55(47)64-57)42-27-29-43(30-28-42)62-51-18-8-4-14-45(51)46-15-5-9-19-52(46)62;1-55(2)48-19-11-9-17-42(48)45-33-41(27-28-49(45)55)56(38-13-5-3-6-14-38)40-25-21-35(22-26-40)36-23-29-50-46(31-36)47-34-44-37(32-51(47)57(50)39-15-7-4-8-16-39)24-30-53-54(44)43-18-10-12-20-52(43)58-53;1-3-11-36(12-4-1)53(39-25-27-49-45(31-39)40-15-7-9-17-48(40)55-49)38-23-19-33(20-24-38)34-21-26-46-43(29-34)44-32-42-35(30-47(44)54(46)37-13-5-2-6-14-37)22-28-51-52(42)41-16-8-10-18-50(41)56-51/h1-38H;1-37H;3-34H,1-2H3;1-32H/i;1D,2D,3D,12D,13D;3D,4D,5D,6D,7D,8D,13D,14D,15D,16D;1D,3D,4D,11D,12D.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-[4-[14-(2,3,4,5,6-pentadeuteriophenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl]phenyl]dibenzothiophen-2-amine;9,9-dimethyl-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-[16-(2,3,4,5,6-pentadeuteriophenyl)-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl]phenyl]fluoren-3-amine;N-(4-fluorophenyl)-5-phenyl-N-[4-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine;N-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzofuran-2-amine?
N-(4-carbazol-9-ylphenyl)-N-[4-[14-(2,3,4,5,6-pentadeuteriophenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl]phenyl]dibenzothiophen-2-amine;9,9-dimethyl-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-[16-(2,3,4,5,6-pentadeuteriophenyl)-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl]phenyl]fluoren-3-amine;N-(4-fluorophenyl)-5-phenyl-N-[4-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine;N-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzofuran-2-amine has a molecular weight of 3252.20 g/mol, XLogP of 66.67, 22 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-[4-[14-(2,3,4,5,6-pentadeuteriophenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl]phenyl]dibenzothiophen-2-amine;9,9-dimethyl-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-[16-(2,3,4,5,6-pentadeuteriophenyl)-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl]phenyl]fluoren-3-amine;N-(4-fluorophenyl)-5-phenyl-N-[4-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine;N-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 161171383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).