5-N,9-N-bis(3-tert-butylphenyl)-7,7-dimethyl-12-phenyl-12-pyridin-3-yl-5-N,9-N-bis(4-trimethylsilylphenyl)indeno[1,2-a]fluorene-5,9-diamine;4-N,7-N-bis(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-4-N,7-N,12,12-tetraphenylfluoreno[2,1-b][1]benzofuran-4,7-diamine;7-N',10-N'-bis(9,9-dimethylfluoren-2-yl)-7-N',10-N'-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,12'-fluoreno[2,1-b][1]benzofuran]-7',10'-diamine;3-N,7-N-bis(2,4-diphenylphenyl)-12,12-dimethyl-7-N-(4-methylphenyl)-5-phenyl-3-N-[4-(trifluoromethyl)phenyl]indeno[1,2-c]carbazole-3,7-diamine;5-N,12-N-bis[3-(2-fluoro-4-phenylphenyl)phenyl]-20,20-dimethyl-5-N,12-N-bis(3-phenylphenyl)-9-thia-17-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene-5,12-diamine;9,9-dimethyl-12-N,17-N-bis(2,3,4,5,6-pentadeuteriophenyl)-12-N,17-N-diphenylspiro[7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine

C435H329F5N20O4SSi2 — CID 159471945

IUPAC5-N,9-N-bis(3-tert-butylphenyl)-7,7-dimethyl-12-phenyl-12-pyridin-3-yl-5-N,9-N-bis(4-trimethylsilylphenyl)indeno[1,2-a]fluorene-5,9-diamine;4-N,7-N-bis(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-4-N,7-N,12,12-tetraphenylfluoreno[2,1-b][1]benzofuran-4,7-diamine;7-N',10-N'-bis(9,9-dimethylfluoren-2-yl)-7-N',10-N'-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,12'-fluoreno[2,1-b][1]benzofuran]-7',10'-diamine;3-N,7-N-bis(2,4-diphenylphenyl)-12,12-dimethyl-7-N-(4-methylphenyl)-5-phenyl-3-N-[4-(trifluoromethyl)phenyl]indeno[1,2-c]carbazole-3,7-diamine;5-N,12-N-bis[3-(2-fluoro-4-phenylphenyl)phenyl]-20,20-dimethyl-5-N,12-N-bis(3-phenylphenyl)-9-thia-17-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene-5,12-diamine;9,9-dimethyl-12-N,17-N-bis(2,3,4,5,6-pentadeuteriophenyl)-12-N,17-N-diphenylspiro[7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine
SMILESCC(C)(C)c1cccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc([Si](C)(C)C)cc4)c4cccc(C(C)(C)C)c4)c4c(c2-3)C(c2ccccc2)(c2cccnc2)c2ccccc2-4)c1.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5cccnc5-c5ncccc53)c3c-4c(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc4oc5ccccc5c34)cc21.CC1(C)c2cnccc2-c2c(N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccc(-c5ccccc5)cc4F)c3)cc3sc4ccc(N(c5cccc(-c6ccccc6)c5)c5cccc(-c6ccc(-c7ccccc7)cc6F)c5)cc4c3c21.Cc1ccc(N(c2ccc(-c3ccccc3)cc2-c2ccccc2)c2cc3c(c4c2-c2ccccc2C4(C)C)c2ccc(N(c4ccc(C(F)(F)F)cc4)c4ccc(-c5ccccc5)cc4-c4ccccc4)cc2n3-c2ccccc2)cc1.Cc1cnc(N(c2ccccc2)c2cc3oc4c(N(c5ccccc5)c5ncc(C)cc5-c5cccc6c5oc5ccccc56)cccc4c3c3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)c(-c2cccc3c2oc2ccccc23)c1.[2H]c1c([2H])c([2H])c(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2c-3c(N(c3ccccc3)c3c([2H])c([2H])c([2H])c([2H])c3[2H])cc3c2-c2cccnc2C3(C)C)c([2H])c1[2H]
InChIInChI=1S/C80H55F2N3S.C79H52N4O3.C77H56F3N3.C71H50N4O.C71H75N3Si2.C57H41N3/c1-80(2)71-51-83-42-41-69(71)77-74(85(64-33-16-28-57(44-64)53-21-9-4-10-22-53)65-34-18-30-61(46-65)68-39-36-59(48-73(68)82)55-25-13-6-14-26-55)50-76-78(79(77)80)70-49-66(37-40-75(70)86-76)84(62-31-15-27-56(43-62)52-19-7-3-8-20-52)63-32-17-29-60(45-63)67-38-35-58(47-72(67)81)54-23-11-5-12-24-54;1-49-44-63(59-37-21-35-57-55-32-16-19-42-68(55)84-74(57)59)77(80-47-49)82(53-28-11-5-12-29-53)66-41-23-39-62-72-70(86-76(62)66)46-67(71-61-34-15-18-40-65(61)79(73(71)72,51-24-7-3-8-25-51)52-26-9-4-10-27-52)83(54-30-13-6-14-31-54)78-64(45-50(2)48-81-78)60-38-22-36-58-56-33-17-20-43-69(56)85-75(58)60;1-51-33-39-61(40-34-51)82(69-46-36-57(53-23-11-5-12-24-53)48-66(69)55-27-15-7-16-28-55)71-50-72-74(75-73(71)63-31-19-20-32-67(63)76(75,2)3)64-44-43-62(49-70(64)83(72)59-29-17-8-18-30-59)81(60-41-37-58(38-42-60)77(78,79)80)68-45-35-56(52-21-9-4-10-22-52)47-65(68)54-25-13-6-14-26-54;1-69(2)54-26-14-11-23-48(54)50-34-31-45(39-58(50)69)74(43-19-7-5-8-20-43)46-33-36-52-60(41-46)71(56-28-17-37-72-67(56)68-57(71)29-18-38-73-68)66-64(52)61(42-63-65(66)53-25-13-16-30-62(53)76-63)75(44-21-9-6-10-22-44)47-32-35-51-49-24-12-15-27-55(49)70(3,4)59(51)40-47;1-68(2,3)49-25-20-28-54(43-49)73(52-32-37-57(38-33-52)75(9,10)11)56-36-41-60-62(45-56)70(7,8)63-46-64(74(53-34-39-58(40-35-53)76(12,13)14)55-29-21-26-50(44-55)69(4,5)6)66-59-30-18-19-31-61(59)71(67(66)65(60)63,48-23-16-15-17-24-48)51-27-22-42-72-47-51;1-56(2)50-37-51(60(40-24-11-5-12-25-40)41-26-13-6-14-27-41)53-45-34-33-42(59(38-20-7-3-8-21-38)39-22-9-4-10-23-39)36-49(45)57(54(53)52(50)46-30-19-35-58-55(46)56)47-31-17-15-28-43(47)44-29-16-18-32-48(44)57/h3-51H,1-2H3;3-48H,1-2H3;4-50H,1-3H3;5-42H,1-4H3;15-47H,1-14H3;3-37H,1-2H3/i;;;;;3D,5D,7D,8D,11D,12D,20D,21D,24D,25D
InChIKeyLVXLATVOSCIGPR-VTTHSWRNSA-N
MW6093.84 g/mol
LogP117.75
Rot. Bonds55

About 5-N,9-N-bis(3-tert-butylphenyl)-7,7-dimethyl-12-phenyl-12-pyridin-3-yl-5-N,9-N-bis(4-trimethylsilylphenyl)indeno[1,2-a]fluorene-5,9-diamine;4-N,7-N-bis(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-4-N,7-N,12,12-tetraphenylfluoreno[2,1-b][1]benzofuran-4,7-diamine;7-N',10-N'-bis(9,9-dimethylfluoren-2-yl)-7-N',10-N'-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,12'-fluoreno[2,1-b][1]benzofuran]-7',10'-diamine;3-N,7-N-bis(2,4-diphenylphenyl)-12,12-dimethyl-7-N-(4-methylphenyl)-5-phenyl-3-N-[4-(trifluoromethyl)phenyl]indeno[1,2-c]carbazole-3,7-diamine;5-N,12-N-bis[3-(2-fluoro-4-phenylphenyl)phenyl]-20,20-dimethyl-5-N,12-N-bis(3-phenylphenyl)-9-thia-17-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene-5,12-diamine;9,9-dimethyl-12-N,17-N-bis(2,3,4,5,6-pentadeuteriophenyl)-12-N,17-N-diphenylspiro[7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine

5-N,9-N-bis(3-tert-butylphenyl)-7,7-dimethyl-12-phenyl-12-pyridin-3-yl-5-N,9-N-bis(4-trimethylsilylphenyl)indeno[1,2-a]fluorene-5,9-diamine;4-N,7-N-bis(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-4-N,7-N,12,12-tetraphenylfluoreno[2,1-b][1]benzofuran-4,7-diamine;7-N',10-N'-bis(9,9-dimethylfluoren-2-yl)-7-N',10-N'-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,12'-fluoreno[2,1-b][1]benzofuran]-7',10'-diamine;3-N,7-N-bis(2,4-diphenylphenyl)-12,12-dimethyl-7-N-(4-methylphenyl)-5-phenyl-3-N-[4-(trifluoromethyl)phenyl]indeno[1,2-c]carbazole-3,7-diamine;5-N,12-N-bis[3-(2-fluoro-4-phenylphenyl)phenyl]-20,20-dimethyl-5-N,12-N-bis(3-phenylphenyl)-9-thia-17-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene-5,12-diamine;9,9-dimethyl-12-N,17-N-bis(2,3,4,5,6-pentadeuteriophenyl)-12-N,17-N-diphenylspiro[7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine (PubChem CID 159471945) has the molecular formula C435H329F5N20O4SSi2 and a molecular weight of 6093.84 g/mol. Its IUPAC name is 5-N,9-N-bis(3-tert-butylphenyl)-7,7-dimethyl-12-phenyl-12-pyridin-3-yl-5-N,9-N-bis(4-trimethylsilylphenyl)indeno[1,2-a]fluorene-5,9-diamine;4-N,7-N-bis(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-4-N,7-N,12,12-tetraphenylfluoreno[2,1-b][1]benzofuran-4,7-diamine;7-N',10-N'-bis(9,9-dimethylfluoren-2-yl)-7-N',10-N'-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,12'-fluoreno[2,1-b][1]benzofuran]-7',10'-diamine;3-N,7-N-bis(2,4-diphenylphenyl)-12,12-dimethyl-7-N-(4-methylphenyl)-5-phenyl-3-N-[4-(trifluoromethyl)phenyl]indeno[1,2-c]carbazole-3,7-diamine;5-N,12-N-bis[3-(2-fluoro-4-phenylphenyl)phenyl]-20,20-dimethyl-5-N,12-N-bis(3-phenylphenyl)-9-thia-17-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene-5,12-diamine;9,9-dimethyl-12-N,17-N-bis(2,3,4,5,6-pentadeuteriophenyl)-12-N,17-N-diphenylspiro[7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine.

Molecular Properties

Compound Name5-N,9-N-bis(3-tert-butylphenyl)-7,7-dimethyl-12-phenyl-12-pyridin-3-yl-5-N,9-N-bis(4-trimethylsilylphenyl)indeno[1,2-a]fluorene-5,9-diamine;4-N,7-N-bis(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-4-N,7-N,12,12-tetraphenylfluoreno[2,1-b][1]benzofuran-4,7-diamine;7-N',10-N'-bis(9,9-dimethylfluoren-2-yl)-7-N',10-N'-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,12'-fluoreno[2,1-b][1]benzofuran]-7',10'-diamine;3-N,7-N-bis(2,4-diphenylphenyl)-12,12-dimethyl-7-N-(4-methylphenyl)-5-phenyl-3-N-[4-(trifluoromethyl)phenyl]indeno[1,2-c]carbazole-3,7-diamine;5-N,12-N-bis[3-(2-fluoro-4-phenylphenyl)phenyl]-20,20-dimethyl-5-N,12-N-bis(3-phenylphenyl)-9-thia-17-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene-5,12-diamine;9,9-dimethyl-12-N,17-N-bis(2,3,4,5,6-pentadeuteriophenyl)-12-N,17-N-diphenylspiro[7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine
PubChem CID159471945
Molecular FormulaC435H329F5N20O4SSi2
Molecular Weight6093.84 g/mol
Exact Mass6088.60
IUPAC Name5-N,9-N-bis(3-tert-butylphenyl)-7,7-dimethyl-12-phenyl-12-pyridin-3-yl-5-N,9-N-bis(4-trimethylsilylphenyl)indeno[1,2-a]fluorene-5,9-diamine;4-N,7-N-bis(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-4-N,7-N,12,12-tetraphenylfluoreno[2,1-b][1]benzofuran-4,7-diamine;7-N',10-N'-bis(9,9-dimethylfluoren-2-yl)-7-N',10-N'-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,12'-fluoreno[2,1-b][1]benzofuran]-7',10'-diamine;3-N,7-N-bis(2,4-diphenylphenyl)-12,12-dimethyl-7-N-(4-methylphenyl)-5-phenyl-3-N-[4-(trifluoromethyl)phenyl]indeno[1,2-c]carbazole-3,7-diamine;5-N,12-N-bis[3-(2-fluoro-4-phenylphenyl)phenyl]-20,20-dimethyl-5-N,12-N-bis(3-phenylphenyl)-9-thia-17-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene-5,12-diamine;9,9-dimethyl-12-N,17-N-bis(2,3,4,5,6-pentadeuteriophenyl)-12-N,17-N-diphenylspiro[7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine
SMILESCC(C)(C)c1cccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc([Si](C)(C)C)cc4)c4cccc(C(C)(C)C)c4)c4c(c2-3)C(c2ccccc2)(c2cccnc2)c2ccccc2-4)c1.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5cccnc5-c5ncccc53)c3c-4c(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc4oc5ccccc5c34)cc21.CC1(C)c2cnccc2-c2c(N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccc(-c5ccccc5)cc4F)c3)cc3sc4ccc(N(c5cccc(-c6ccccc6)c5)c5cccc(-c6ccc(-c7ccccc7)cc6F)c5)cc4c3c21.Cc1ccc(N(c2ccc(-c3ccccc3)cc2-c2ccccc2)c2cc3c(c4c2-c2ccccc2C4(C)C)c2ccc(N(c4ccc(C(F)(F)F)cc4)c4ccc(-c5ccccc5)cc4-c4ccccc4)cc2n3-c2ccccc2)cc1.Cc1cnc(N(c2ccccc2)c2cc3oc4c(N(c5ccccc5)c5ncc(C)cc5-c5cccc6c5oc5ccccc56)cccc4c3c3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)c(-c2cccc3c2oc2ccccc23)c1.[2H]c1c([2H])c([2H])c(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2c-3c(N(c3ccccc3)c3c([2H])c([2H])c([2H])c([2H])c3[2H])cc3c2-c2cccnc2C3(C)C)c([2H])c1[2H]
InChIInChI=1S/C80H55F2N3S.C79H52N4O3.C77H56F3N3.C71H50N4O.C71H75N3Si2.C57H41N3/c1-80(2)71-51-83-42-41-69(71)77-74(85(64-33-16-28-57(44-64)53-21-9-4-10-22-53)65-34-18-30-61(46-65)68-39-36-59(48-73(68)82)55-25-13-6-14-26-55)50-76-78(79(77)80)70-49-66(37-40-75(70)86-76)84(62-31-15-27-56(43-62)52-19-7-3-8-20-52)63-32-17-29-60(45-63)67-38-35-58(47-72(67)81)54-23-11-5-12-24-54;1-49-44-63(59-37-21-35-57-55-32-16-19-42-68(55)84-74(57)59)77(80-47-49)82(53-28-11-5-12-29-53)66-41-23-39-62-72-70(86-76(62)66)46-67(71-61-34-15-18-40-65(61)79(73(71)72,51-24-7-3-8-25-51)52-26-9-4-10-27-52)83(54-30-13-6-14-31-54)78-64(45-50(2)48-81-78)60-38-22-36-58-56-33-17-20-43-69(56)85-75(58)60;1-51-33-39-61(40-34-51)82(69-46-36-57(53-23-11-5-12-24-53)48-66(69)55-27-15-7-16-28-55)71-50-72-74(75-73(71)63-31-19-20-32-67(63)76(75,2)3)64-44-43-62(49-70(64)83(72)59-29-17-8-18-30-59)81(60-41-37-58(38-42-60)77(78,79)80)68-45-35-56(52-21-9-4-10-22-52)47-65(68)54-25-13-6-14-26-54;1-69(2)54-26-14-11-23-48(54)50-34-31-45(39-58(50)69)74(43-19-7-5-8-20-43)46-33-36-52-60(41-46)71(56-28-17-37-72-67(56)68-57(71)29-18-38-73-68)66-64(52)61(42-63-65(66)53-25-13-16-30-62(53)76-63)75(44-21-9-6-10-22-44)47-32-35-51-49-24-12-15-27-55(49)70(3,4)59(51)40-47;1-68(2,3)49-25-20-28-54(43-49)73(52-32-37-57(38-33-52)75(9,10)11)56-36-41-60-62(45-56)70(7,8)63-46-64(74(53-34-39-58(40-35-53)76(12,13)14)55-29-21-26-50(44-55)69(4,5)6)66-59-30-18-19-31-61(59)71(67(66)65(60)63,48-23-16-15-17-24-48)51-27-22-42-72-47-51;1-56(2)50-37-51(60(40-24-11-5-12-25-40)41-26-13-6-14-27-41)53-45-34-33-42(59(38-20-7-3-8-21-38)39-22-9-4-10-23-39)36-49(45)57(54(53)52(50)46-30-19-35-58-55(46)56)47-31-17-15-28-43(47)44-29-16-18-32-48(44)57/h3-51H,1-2H3;3-48H,1-2H3;4-50H,1-3H3;5-42H,1-4H3;15-47H,1-14H3;3-37H,1-2H3/i;;;;;3D,5D,7D,8D,11D,12D,20D,21D,24D,25D
InChIKeyLVXLATVOSCIGPR-VTTHSWRNSA-N
XLogP117.75
TPSA186.60 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds55
Heavy Atoms467
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006093.84
LogP ≤ 5117.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 5-N,9-N-bis(3-tert-butylphenyl)-7,7-dimethyl-12-phenyl-12-pyridin-3-yl-5-N,9-N-bis(4-trimethylsilylphenyl)indeno[1,2-a]fluorene-5,9-diamine;4-N,7-N-bis(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-4-N,7-N,12,12-tetraphenylfluoreno[2,1-b][1]benzofuran-4,7-diamine;7-N',10-N'-bis(9,9-dimethylfluoren-2-yl)-7-N',10-N'-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,12'-fluoreno[2,1-b][1]benzofuran]-7',10'-diamine;3-N,7-N-bis(2,4-diphenylphenyl)-12,12-dimethyl-7-N-(4-methylphenyl)-5-phenyl-3-N-[4-(trifluoromethyl)phenyl]indeno[1,2-c]carbazole-3,7-diamine;5-N,12-N-bis[3-(2-fluoro-4-phenylphenyl)phenyl]-20,20-dimethyl-5-N,12-N-bis(3-phenylphenyl)-9-thia-17-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene-5,12-diamine;9,9-dimethyl-12-N,17-N-bis(2,3,4,5,6-pentadeuteriophenyl)-12-N,17-N-diphenylspiro[7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-N,9-N-bis(3-tert-butylphenyl)-7,7-dimethyl-12-phenyl-12-pyridin-3-yl-5-N,9-N-bis(4-trimethylsilylphenyl)indeno[1,2-a]fluorene-5,9-diamine;4-N,7-N-bis(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-4-N,7-N,12,12-tetraphenylfluoreno[2,1-b][1]benzofuran-4,7-diamine;7-N',10-N'-bis(9,9-dimethylfluoren-2-yl)-7-N',10-N'-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,12'-fluoreno[2,1-b][1]benzofuran]-7',10'-diamine;3-N,7-N-bis(2,4-diphenylphenyl)-12,12-dimethyl-7-N-(4-methylphenyl)-5-phenyl-3-N-[4-(trifluoromethyl)phenyl]indeno[1,2-c]carbazole-3,7-diamine;5-N,12-N-bis[3-(2-fluoro-4-phenylphenyl)phenyl]-20,20-dimethyl-5-N,12-N-bis(3-phenylphenyl)-9-thia-17-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene-5,12-diamine;9,9-dimethyl-12-N,17-N-bis(2,3,4,5,6-pentadeuteriophenyl)-12-N,17-N-diphenylspiro[7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine?
The IUPAC name of 5-N,9-N-bis(3-tert-butylphenyl)-7,7-dimethyl-12-phenyl-12-pyridin-3-yl-5-N,9-N-bis(4-trimethylsilylphenyl)indeno[1,2-a]fluorene-5,9-diamine;4-N,7-N-bis(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-4-N,7-N,12,12-tetraphenylfluoreno[2,1-b][1]benzofuran-4,7-diamine;7-N',10-N'-bis(9,9-dimethylfluoren-2-yl)-7-N',10-N'-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,12'-fluoreno[2,1-b][1]benzofuran]-7',10'-diamine;3-N,7-N-bis(2,4-diphenylphenyl)-12,12-dimethyl-7-N-(4-methylphenyl)-5-phenyl-3-N-[4-(trifluoromethyl)phenyl]indeno[1,2-c]carbazole-3,7-diamine;5-N,12-N-bis[3-(2-fluoro-4-phenylphenyl)phenyl]-20,20-dimethyl-5-N,12-N-bis(3-phenylphenyl)-9-thia-17-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene-5,12-diamine;9,9-dimethyl-12-N,17-N-bis(2,3,4,5,6-pentadeuteriophenyl)-12-N,17-N-diphenylspiro[7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine (CID 159471945) is 5-N,9-N-bis(3-tert-butylphenyl)-7,7-dimethyl-12-phenyl-12-pyridin-3-yl-5-N,9-N-bis(4-trimethylsilylphenyl)indeno[1,2-a]fluorene-5,9-diamine;4-N,7-N-bis(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-4-N,7-N,12,12-tetraphenylfluoreno[2,1-b][1]benzofuran-4,7-diamine;7-N',10-N'-bis(9,9-dimethylfluoren-2-yl)-7-N',10-N'-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,12'-fluoreno[2,1-b][1]benzofuran]-7',10'-diamine;3-N,7-N-bis(2,4-diphenylphenyl)-12,12-dimethyl-7-N-(4-methylphenyl)-5-phenyl-3-N-[4-(trifluoromethyl)phenyl]indeno[1,2-c]carbazole-3,7-diamine;5-N,12-N-bis[3-(2-fluoro-4-phenylphenyl)phenyl]-20,20-dimethyl-5-N,12-N-bis(3-phenylphenyl)-9-thia-17-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene-5,12-diamine;9,9-dimethyl-12-N,17-N-bis(2,3,4,5,6-pentadeuteriophenyl)-12-N,17-N-diphenylspiro[7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine.
What is the SMILES notation for 5-N,9-N-bis(3-tert-butylphenyl)-7,7-dimethyl-12-phenyl-12-pyridin-3-yl-5-N,9-N-bis(4-trimethylsilylphenyl)indeno[1,2-a]fluorene-5,9-diamine;4-N,7-N-bis(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-4-N,7-N,12,12-tetraphenylfluoreno[2,1-b][1]benzofuran-4,7-diamine;7-N',10-N'-bis(9,9-dimethylfluoren-2-yl)-7-N',10-N'-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,12'-fluoreno[2,1-b][1]benzofuran]-7',10'-diamine;3-N,7-N-bis(2,4-diphenylphenyl)-12,12-dimethyl-7-N-(4-methylphenyl)-5-phenyl-3-N-[4-(trifluoromethyl)phenyl]indeno[1,2-c]carbazole-3,7-diamine;5-N,12-N-bis[3-(2-fluoro-4-phenylphenyl)phenyl]-20,20-dimethyl-5-N,12-N-bis(3-phenylphenyl)-9-thia-17-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene-5,12-diamine;9,9-dimethyl-12-N,17-N-bis(2,3,4,5,6-pentadeuteriophenyl)-12-N,17-N-diphenylspiro[7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine?
The canonical SMILES for 5-N,9-N-bis(3-tert-butylphenyl)-7,7-dimethyl-12-phenyl-12-pyridin-3-yl-5-N,9-N-bis(4-trimethylsilylphenyl)indeno[1,2-a]fluorene-5,9-diamine;4-N,7-N-bis(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-4-N,7-N,12,12-tetraphenylfluoreno[2,1-b][1]benzofuran-4,7-diamine;7-N',10-N'-bis(9,9-dimethylfluoren-2-yl)-7-N',10-N'-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,12'-fluoreno[2,1-b][1]benzofuran]-7',10'-diamine;3-N,7-N-bis(2,4-diphenylphenyl)-12,12-dimethyl-7-N-(4-methylphenyl)-5-phenyl-3-N-[4-(trifluoromethyl)phenyl]indeno[1,2-c]carbazole-3,7-diamine;5-N,12-N-bis[3-(2-fluoro-4-phenylphenyl)phenyl]-20,20-dimethyl-5-N,12-N-bis(3-phenylphenyl)-9-thia-17-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene-5,12-diamine;9,9-dimethyl-12-N,17-N-bis(2,3,4,5,6-pentadeuteriophenyl)-12-N,17-N-diphenylspiro[7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine is CC(C)(C)c1cccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc([Si](C)(C)C)cc4)c4cccc(C(C)(C)C)c4)c4c(c2-3)C(c2ccccc2)(c2cccnc2)c2ccccc2-4)c1.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5cccnc5-c5ncccc53)c3c-4c(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc4oc5ccccc5c34)cc21.CC1(C)c2cnccc2-c2c(N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccc(-c5ccccc5)cc4F)c3)cc3sc4ccc(N(c5cccc(-c6ccccc6)c5)c5cccc(-c6ccc(-c7ccccc7)cc6F)c5)cc4c3c21.Cc1ccc(N(c2ccc(-c3ccccc3)cc2-c2ccccc2)c2cc3c(c4c2-c2ccccc2C4(C)C)c2ccc(N(c4ccc(C(F)(F)F)cc4)c4ccc(-c5ccccc5)cc4-c4ccccc4)cc2n3-c2ccccc2)cc1.Cc1cnc(N(c2ccccc2)c2cc3oc4c(N(c5ccccc5)c5ncc(C)cc5-c5cccc6c5oc5ccccc56)cccc4c3c3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)c(-c2cccc3c2oc2ccccc23)c1.[2H]c1c([2H])c([2H])c(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2c-3c(N(c3ccccc3)c3c([2H])c([2H])c([2H])c([2H])c3[2H])cc3c2-c2cccnc2C3(C)C)c([2H])c1[2H].
What is the InChIKey of 5-N,9-N-bis(3-tert-butylphenyl)-7,7-dimethyl-12-phenyl-12-pyridin-3-yl-5-N,9-N-bis(4-trimethylsilylphenyl)indeno[1,2-a]fluorene-5,9-diamine;4-N,7-N-bis(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-4-N,7-N,12,12-tetraphenylfluoreno[2,1-b][1]benzofuran-4,7-diamine;7-N',10-N'-bis(9,9-dimethylfluoren-2-yl)-7-N',10-N'-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,12'-fluoreno[2,1-b][1]benzofuran]-7',10'-diamine;3-N,7-N-bis(2,4-diphenylphenyl)-12,12-dimethyl-7-N-(4-methylphenyl)-5-phenyl-3-N-[4-(trifluoromethyl)phenyl]indeno[1,2-c]carbazole-3,7-diamine;5-N,12-N-bis[3-(2-fluoro-4-phenylphenyl)phenyl]-20,20-dimethyl-5-N,12-N-bis(3-phenylphenyl)-9-thia-17-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene-5,12-diamine;9,9-dimethyl-12-N,17-N-bis(2,3,4,5,6-pentadeuteriophenyl)-12-N,17-N-diphenylspiro[7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine?
The InChIKey is LVXLATVOSCIGPR-VTTHSWRNSA-N. The full InChI is InChI=1S/C80H55F2N3S.C79H52N4O3.C77H56F3N3.C71H50N4O.C71H75N3Si2.C57H41N3/c1-80(2)71-51-83-42-41-69(71)77-74(85(64-33-16-28-57(44-64)53-21-9-4-10-22-53)65-34-18-30-61(46-65)68-39-36-59(48-73(68)82)55-25-13-6-14-26-55)50-76-78(79(77)80)70-49-66(37-40-75(70)86-76)84(62-31-15-27-56(43-62)52-19-7-3-8-20-52)63-32-17-29-60(45-63)67-38-35-58(47-72(67)81)54-23-11-5-12-24-54;1-49-44-63(59-37-21-35-57-55-32-16-19-42-68(55)84-74(57)59)77(80-47-49)82(53-28-11-5-12-29-53)66-41-23-39-62-72-70(86-76(62)66)46-67(71-61-34-15-18-40-65(61)79(73(71)72,51-24-7-3-8-25-51)52-26-9-4-10-27-52)83(54-30-13-6-14-31-54)78-64(45-50(2)48-81-78)60-38-22-36-58-56-33-17-20-43-69(56)85-75(58)60;1-51-33-39-61(40-34-51)82(69-46-36-57(53-23-11-5-12-24-53)48-66(69)55-27-15-7-16-28-55)71-50-72-74(75-73(71)63-31-19-20-32-67(63)76(75,2)3)64-44-43-62(49-70(64)83(72)59-29-17-8-18-30-59)81(60-41-37-58(38-42-60)77(78,79)80)68-45-35-56(52-21-9-4-10-22-52)47-65(68)54-25-13-6-14-26-54;1-69(2)54-26-14-11-23-48(54)50-34-31-45(39-58(50)69)74(43-19-7-5-8-20-43)46-33-36-52-60(41-46)71(56-28-17-37-72-67(56)68-57(71)29-18-38-73-68)66-64(52)61(42-63-65(66)53-25-13-16-30-62(53)76-63)75(44-21-9-6-10-22-44)47-32-35-51-49-24-12-15-27-55(49)70(3,4)59(51)40-47;1-68(2,3)49-25-20-28-54(43-49)73(52-32-37-57(38-33-52)75(9,10)11)56-36-41-60-62(45-56)70(7,8)63-46-64(74(53-34-39-58(40-35-53)76(12,13)14)55-29-21-26-50(44-55)69(4,5)6)66-59-30-18-19-31-61(59)71(67(66)65(60)63,48-23-16-15-17-24-48)51-27-22-42-72-47-51;1-56(2)50-37-51(60(40-24-11-5-12-25-40)41-26-13-6-14-27-41)53-45-34-33-42(59(38-20-7-3-8-21-38)39-22-9-4-10-23-39)36-49(45)57(54(53)52(50)46-30-19-35-58-55(46)56)47-31-17-15-28-43(47)44-29-16-18-32-48(44)57/h3-51H,1-2H3;3-48H,1-2H3;4-50H,1-3H3;5-42H,1-4H3;15-47H,1-14H3;3-37H,1-2H3/i;;;;;3D,5D,7D,8D,11D,12D,20D,21D,24D,25D.
What are the key properties of 5-N,9-N-bis(3-tert-butylphenyl)-7,7-dimethyl-12-phenyl-12-pyridin-3-yl-5-N,9-N-bis(4-trimethylsilylphenyl)indeno[1,2-a]fluorene-5,9-diamine;4-N,7-N-bis(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-4-N,7-N,12,12-tetraphenylfluoreno[2,1-b][1]benzofuran-4,7-diamine;7-N',10-N'-bis(9,9-dimethylfluoren-2-yl)-7-N',10-N'-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,12'-fluoreno[2,1-b][1]benzofuran]-7',10'-diamine;3-N,7-N-bis(2,4-diphenylphenyl)-12,12-dimethyl-7-N-(4-methylphenyl)-5-phenyl-3-N-[4-(trifluoromethyl)phenyl]indeno[1,2-c]carbazole-3,7-diamine;5-N,12-N-bis[3-(2-fluoro-4-phenylphenyl)phenyl]-20,20-dimethyl-5-N,12-N-bis(3-phenylphenyl)-9-thia-17-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene-5,12-diamine;9,9-dimethyl-12-N,17-N-bis(2,3,4,5,6-pentadeuteriophenyl)-12-N,17-N-diphenylspiro[7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine?
5-N,9-N-bis(3-tert-butylphenyl)-7,7-dimethyl-12-phenyl-12-pyridin-3-yl-5-N,9-N-bis(4-trimethylsilylphenyl)indeno[1,2-a]fluorene-5,9-diamine;4-N,7-N-bis(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-4-N,7-N,12,12-tetraphenylfluoreno[2,1-b][1]benzofuran-4,7-diamine;7-N',10-N'-bis(9,9-dimethylfluoren-2-yl)-7-N',10-N'-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,12'-fluoreno[2,1-b][1]benzofuran]-7',10'-diamine;3-N,7-N-bis(2,4-diphenylphenyl)-12,12-dimethyl-7-N-(4-methylphenyl)-5-phenyl-3-N-[4-(trifluoromethyl)phenyl]indeno[1,2-c]carbazole-3,7-diamine;5-N,12-N-bis[3-(2-fluoro-4-phenylphenyl)phenyl]-20,20-dimethyl-5-N,12-N-bis(3-phenylphenyl)-9-thia-17-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene-5,12-diamine;9,9-dimethyl-12-N,17-N-bis(2,3,4,5,6-pentadeuteriophenyl)-12-N,17-N-diphenylspiro[7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine has a molecular weight of 6093.84 g/mol, XLogP of 117.75, 55 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,9-N-bis(3-tert-butylphenyl)-7,7-dimethyl-12-phenyl-12-pyridin-3-yl-5-N,9-N-bis(4-trimethylsilylphenyl)indeno[1,2-a]fluorene-5,9-diamine;4-N,7-N-bis(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-4-N,7-N,12,12-tetraphenylfluoreno[2,1-b][1]benzofuran-4,7-diamine;7-N',10-N'-bis(9,9-dimethylfluoren-2-yl)-7-N',10-N'-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,12'-fluoreno[2,1-b][1]benzofuran]-7',10'-diamine;3-N,7-N-bis(2,4-diphenylphenyl)-12,12-dimethyl-7-N-(4-methylphenyl)-5-phenyl-3-N-[4-(trifluoromethyl)phenyl]indeno[1,2-c]carbazole-3,7-diamine;5-N,12-N-bis[3-(2-fluoro-4-phenylphenyl)phenyl]-20,20-dimethyl-5-N,12-N-bis(3-phenylphenyl)-9-thia-17-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene-5,12-diamine;9,9-dimethyl-12-N,17-N-bis(2,3,4,5,6-pentadeuteriophenyl)-12-N,17-N-diphenylspiro[7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine is sourced from PubChem (CID 159471945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).