About 5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;5-N,10-N-bis(4-methylphenyl)-5-N,10-N-bis(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;4-[[10-(4-cyano-N-(9-phenylcarbazol-3-yl)anilino)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile
5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;5-N,10-N-bis(4-methylphenyl)-5-N,10-N-bis(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;4-[[10-(4-cyano-N-(9-phenylcarbazol-3-yl)anilino)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile (PubChem CID 165080808) has the molecular formula C265H165F2N17
and a molecular weight of 3625.35 g/mol. Its IUPAC name is 5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;5-N,10-N-bis(4-methylphenyl)-5-N,10-N-bis(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;4-[[10-(4-cyano-N-(9-phenylcarbazol-3-yl)anilino)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile.
Frequently Asked Questions
What is the IUPAC name of 5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;5-N,10-N-bis(4-methylphenyl)-5-N,10-N-bis(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;4-[[10-(4-cyano-N-(9-phenylcarbazol-3-yl)anilino)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile?
The IUPAC name of 5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;5-N,10-N-bis(4-methylphenyl)-5-N,10-N-bis(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;4-[[10-(4-cyano-N-(9-phenylcarbazol-3-yl)anilino)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile (CID 165080808) is 5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;5-N,10-N-bis(4-methylphenyl)-5-N,10-N-bis(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;4-[[10-(4-cyano-N-(9-phenylcarbazol-3-yl)anilino)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile.
What is the SMILES notation for 5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;5-N,10-N-bis(4-methylphenyl)-5-N,10-N-bis(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;4-[[10-(4-cyano-N-(9-phenylcarbazol-3-yl)anilino)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile?
The canonical SMILES for 5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;5-N,10-N-bis(4-methylphenyl)-5-N,10-N-bis(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;4-[[10-(4-cyano-N-(9-phenylcarbazol-3-yl)anilino)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile is Cc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccc(C)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc4c2n3-c2ccccc2C42c3ccc4ccccc4c3-c3c2ccc2ccccc32)cc1.Fc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccc(F)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc4c2n3-c2ccccc2C42c3ccc4ccccc4c3-c3c2ccc2ccccc32)cc1.N#Cc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccc(C#N)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc4c2n3-c2ccccc2C42c3ccc4ccccc4c3-c3c2ccc2ccccc32)cc1.
What is the InChIKey of 5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;5-N,10-N-bis(4-methylphenyl)-5-N,10-N-bis(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;4-[[10-(4-cyano-N-(9-phenylcarbazol-3-yl)anilino)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile?
The InChIKey is VBVQOVUAVJHDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H53N7.C89H59N5.C87H53F2N5/c90-54-56-31-37-62(38-32-56)92(64-41-46-82-72(49-64)70-25-11-14-28-80(70)94(82)60-19-3-1-4-20-60)65-43-48-84-74(51-65)75-52-67(93(63-39-33-57(55-91)34-40-63)66-42-47-83-73(50-66)71-26-12-15-29-81(71)95(83)61-21-5-2-6-22-61)53-79-88(75)96(84)85-30-16-13-27-76(85)89(79)77-44-35-58-17-7-9-23-68(58)86(77)87-69-24-10-8-18-59(69)36-45-78(87)89;1-56-33-39-62(40-34-56)90(64-43-48-82-72(51-64)70-27-13-16-30-80(70)92(82)60-21-5-3-6-22-60)65-45-50-84-74(53-65)75-54-67(91(63-41-35-57(2)36-42-63)66-44-49-83-73(52-66)71-28-14-17-31-81(71)93(83)61-23-7-4-8-24-61)55-79-88(75)94(84)85-32-18-15-29-76(85)89(79)77-46-37-58-19-9-11-25-68(58)86(77)87-69-26-12-10-20-59(69)38-47-78(87)89;88-56-33-37-60(38-34-56)90(62-41-46-80-70(49-62)68-25-11-14-28-78(68)92(80)58-19-3-1-4-20-58)63-43-48-82-72(51-63)73-52-65(91(61-39-35-57(89)36-40-61)64-42-47-81-71(50-64)69-26-12-15-29-79(69)93(81)59-21-5-2-6-22-59)53-77-86(73)94(82)83-30-16-13-27-74(83)87(77)75-44-31-54-17-7-9-23-66(54)84(75)85-67-24-10-8-18-55(67)32-45-76(85)87/h1-53H;3-55H,1-2H3;1-53H.
What are the key properties of 5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;5-N,10-N-bis(4-methylphenyl)-5-N,10-N-bis(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;4-[[10-(4-cyano-N-(9-phenylcarbazol-3-yl)anilino)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile?
5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;5-N,10-N-bis(4-methylphenyl)-5-N,10-N-bis(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;4-[[10-(4-cyano-N-(9-phenylcarbazol-3-yl)anilino)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile has a molecular weight of 3625.35 g/mol, XLogP of 69.34, 24 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;5-N,10-N-bis(4-methylphenyl)-5-N,10-N-bis(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;4-[[10-(4-cyano-N-(9-phenylcarbazol-3-yl)anilino)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile is sourced from PubChem (CID 165080808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).