About 9-(10-carbazol-9-yl-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)carbazole;9-[4-[10-(4-carbazol-9-ylphenyl)-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]phenyl]carbazole;10-N,21-N-diphenyl-10-N,21-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene-10,21-diamine;4-[4-[10-[4-(4-isocyano-N-naphthalen-1-ylanilino)phenyl]-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]-N-naphthalen-1-ylanilino]benzonitrile;N-(4-isocyanophenyl)-N-[4-(21-phenyl-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)phenyl]naphthalen-2-amine
9-(10-carbazol-9-yl-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)carbazole;9-[4-[10-(4-carbazol-9-ylphenyl)-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]phenyl]carbazole;10-N,21-N-diphenyl-10-N,21-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene-10,21-diamine;4-[4-[10-[4-(4-isocyano-N-naphthalen-1-ylanilino)phenyl]-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]-N-naphthalen-1-ylanilino]benzonitrile;N-(4-isocyanophenyl)-N-[4-(21-phenyl-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)phenyl]naphthalen-2-amine (PubChem CID 157423041) has the molecular formula C281H178N12
and a molecular weight of 3722.60 g/mol. Its IUPAC name is 9-(10-carbazol-9-yl-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)carbazole;9-[4-[10-(4-carbazol-9-ylphenyl)-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]phenyl]carbazole;10-N,21-N-diphenyl-10-N,21-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene-10,21-diamine;4-[4-[10-[4-(4-isocyano-N-naphthalen-1-ylanilino)phenyl]-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]-N-naphthalen-1-ylanilino]benzonitrile;N-(4-isocyanophenyl)-N-[4-(21-phenyl-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)phenyl]naphthalen-2-amine.
Frequently Asked Questions
What is the IUPAC name of 9-(10-carbazol-9-yl-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)carbazole;9-[4-[10-(4-carbazol-9-ylphenyl)-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]phenyl]carbazole;10-N,21-N-diphenyl-10-N,21-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene-10,21-diamine;4-[4-[10-[4-(4-isocyano-N-naphthalen-1-ylanilino)phenyl]-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]-N-naphthalen-1-ylanilino]benzonitrile;N-(4-isocyanophenyl)-N-[4-(21-phenyl-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)phenyl]naphthalen-2-amine?
The IUPAC name of 9-(10-carbazol-9-yl-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)carbazole;9-[4-[10-(4-carbazol-9-ylphenyl)-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]phenyl]carbazole;10-N,21-N-diphenyl-10-N,21-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene-10,21-diamine;4-[4-[10-[4-(4-isocyano-N-naphthalen-1-ylanilino)phenyl]-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]-N-naphthalen-1-ylanilino]benzonitrile;N-(4-isocyanophenyl)-N-[4-(21-phenyl-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)phenyl]naphthalen-2-amine (CID 157423041) is 9-(10-carbazol-9-yl-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)carbazole;9-[4-[10-(4-carbazol-9-ylphenyl)-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]phenyl]carbazole;10-N,21-N-diphenyl-10-N,21-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene-10,21-diamine;4-[4-[10-[4-(4-isocyano-N-naphthalen-1-ylanilino)phenyl]-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]-N-naphthalen-1-ylanilino]benzonitrile;N-(4-isocyanophenyl)-N-[4-(21-phenyl-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)phenyl]naphthalen-2-amine.
What is the SMILES notation for 9-(10-carbazol-9-yl-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)carbazole;9-[4-[10-(4-carbazol-9-ylphenyl)-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]phenyl]carbazole;10-N,21-N-diphenyl-10-N,21-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene-10,21-diamine;4-[4-[10-[4-(4-isocyano-N-naphthalen-1-ylanilino)phenyl]-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]-N-naphthalen-1-ylanilino]benzonitrile;N-(4-isocyanophenyl)-N-[4-(21-phenyl-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)phenyl]naphthalen-2-amine?
The canonical SMILES for 9-(10-carbazol-9-yl-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)carbazole;9-[4-[10-(4-carbazol-9-ylphenyl)-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]phenyl]carbazole;10-N,21-N-diphenyl-10-N,21-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene-10,21-diamine;4-[4-[10-[4-(4-isocyano-N-naphthalen-1-ylanilino)phenyl]-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]-N-naphthalen-1-ylanilino]benzonitrile;N-(4-isocyanophenyl)-N-[4-(21-phenyl-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)phenyl]naphthalen-2-amine is [C-]#[N+]c1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3c3cc(-c5ccc(N(c6ccc(C#N)cc6)c6cccc7ccccc67)cc5)c5ccccc5c43)cc2)c2cccc3ccccc23)cc1.[C-]#[N+]c1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3c3cc(-c5ccccc5)c5ccccc5c43)cc2)c2ccc3ccccc3c2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3c3cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)c5ccccc5c43)cc2)cc1.c1ccc2c(c1)c(-c1ccc(-n3c4ccccc4c4ccccc43)cc1)cc1c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc3c21.c1ccc2c(c1)c(-n1c3ccccc3c3ccccc31)cc1c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc3c21.
What is the InChIKey of 9-(10-carbazol-9-yl-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)carbazole;9-[4-[10-(4-carbazol-9-ylphenyl)-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]phenyl]carbazole;10-N,21-N-diphenyl-10-N,21-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene-10,21-diamine;4-[4-[10-[4-(4-isocyano-N-naphthalen-1-ylanilino)phenyl]-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]-N-naphthalen-1-ylanilino]benzonitrile;N-(4-isocyanophenyl)-N-[4-(21-phenyl-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)phenyl]naphthalen-2-amine?
The InChIKey is BPQFXLYVVWNORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42N4.C58H36N2.C58H40N2.C51H32N2.C46H28N2/c1-70-51-31-39-55(40-32-51)72(67-23-11-15-48-13-3-5-17-57(48)67)53-35-26-46(27-36-53)50-30-41-62-64(42-50)58-18-6-7-19-59(58)65-43-63(60-20-8-9-21-61(60)68(62)65)49-28-37-54(38-29-49)71(52-33-24-45(44-69)25-34-52)66-22-10-14-47-12-2-4-16-56(47)66;1-2-14-43-42(13-1)52-35-39(37-25-30-40(31-26-37)59-54-21-9-5-16-45(54)46-17-6-10-22-55(46)59)29-34-50(52)58-49-20-4-3-15-44(49)51(36-53(43)58)38-27-32-41(33-28-38)60-56-23-11-7-18-47(56)48-19-8-12-24-57(48)60;1-5-17-41(18-6-1)43-29-33-47(34-30-43)59(45-21-9-3-10-22-45)49-37-38-54-55(39-49)50-25-13-14-26-51(50)56-40-57(52-27-15-16-28-53(52)58(54)56)60(46-23-11-4-12-24-46)48-35-31-44(32-36-48)42-19-7-2-8-20-42;1-52-39-23-28-41(29-24-39)53(42-27-21-34-11-5-6-14-37(34)31-42)40-25-19-35(20-26-40)38-22-30-47-49(32-38)43-15-7-8-16-44(43)50-33-48(36-12-3-2-4-13-36)45-17-9-10-18-46(45)51(47)50;1-2-14-31-30(13-1)39-27-29(47-41-21-9-5-15-32(41)33-16-6-10-22-42(33)47)25-26-38(39)46-37-20-4-3-19-36(37)45(28-40(31)46)48-43-23-11-7-17-34(43)35-18-8-12-24-44(35)48/h2-43H;1-36H;1-40H;2-33H;1-28H.
What are the key properties of 9-(10-carbazol-9-yl-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)carbazole;9-[4-[10-(4-carbazol-9-ylphenyl)-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]phenyl]carbazole;10-N,21-N-diphenyl-10-N,21-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene-10,21-diamine;4-[4-[10-[4-(4-isocyano-N-naphthalen-1-ylanilino)phenyl]-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]-N-naphthalen-1-ylanilino]benzonitrile;N-(4-isocyanophenyl)-N-[4-(21-phenyl-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)phenyl]naphthalen-2-amine?
9-(10-carbazol-9-yl-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)carbazole;9-[4-[10-(4-carbazol-9-ylphenyl)-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]phenyl]carbazole;10-N,21-N-diphenyl-10-N,21-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene-10,21-diamine;4-[4-[10-[4-(4-isocyano-N-naphthalen-1-ylanilino)phenyl]-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]-N-naphthalen-1-ylanilino]benzonitrile;N-(4-isocyanophenyl)-N-[4-(21-phenyl-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)phenyl]naphthalen-2-amine has a molecular weight of 3722.60 g/mol, XLogP of 79.00, 27 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(10-carbazol-9-yl-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)carbazole;9-[4-[10-(4-carbazol-9-ylphenyl)-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]phenyl]carbazole;10-N,21-N-diphenyl-10-N,21-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene-10,21-diamine;4-[4-[10-[4-(4-isocyano-N-naphthalen-1-ylanilino)phenyl]-21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]-N-naphthalen-1-ylanilino]benzonitrile;N-(4-isocyanophenyl)-N-[4-(21-phenyl-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 157423041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).