N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine;N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-3-amine;9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-N,N-diphenylaniline;3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-N-phenyl-N-(4-phenylphenyl)aniline;N,4-diphenyl-N-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]aniline;N,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine;N-phenyl-N-(4-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine;N,9,14-triphenyl-N-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine

C456H318N16O7S2 — CID 163889421

IUPACN-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine;N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-3-amine;9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-N,N-diphenylaniline;3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-N-phenyl-N-(4-phenylphenyl)aniline;N,4-diphenyl-N-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]aniline;N,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine;N-phenyl-N-(4-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine;N,9,14-triphenyl-N-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)ccc2-c2c1ccc1c2oc2ccccc21.CC1(C)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2-c2cc3c4ccccc4n(-c4ccccc4)c3cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3ccc5c(c34)C(C)(C)c3ccccc3-5)cc21.c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4c6oc7ccccc7c6ccc4n5-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)sc3cc5sc6ccccc6c5cc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(ccc5ccc6c7ccccc7oc6c54)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c5c6c7ccccc7n(-c7ccccc7)c6ccc5n(-c5ccccc5)c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5oc6c(ccc7oc8ccccc8c76)c5c4)c3)cc2)cc1
InChIInChI=1S/C52H39N.C51H35NO2.2C48H33N3.C48H32N2O.C48H37NO.C45H34N2.C42H27NO2.C38H25NO.C36H23NS2/c1-51(2)47-22-12-9-19-43(47)46-34-33-42(35-50(46)51)53(40-29-25-37(26-30-40)36-15-5-3-6-16-36)41-31-27-39(28-32-41)52(38-17-7-4-8-18-38)48-23-13-10-20-44(48)45-21-11-14-24-49(45)52;1-51(2)44-30-29-42-40-14-7-9-18-47(40)54-50(42)48(44)43-28-27-37(31-45(43)51)52(35-23-19-33(20-24-35)32-11-4-3-5-12-32)36-25-21-34(22-26-36)38-15-10-16-41-39-13-6-8-17-46(39)53-49(38)41;1-5-15-34(16-6-1)35-25-27-39(28-26-35)49(36-17-7-2-8-18-36)40-29-30-42-46(33-40)51(38-21-11-4-12-22-38)45-32-31-44-47(48(42)45)41-23-13-14-24-43(41)50(44)37-19-9-3-10-20-37;1-4-14-34(15-5-1)35-24-26-38(27-25-35)49(36-16-6-2-7-17-36)39-28-30-40(31-29-39)51-46-23-13-11-21-42(46)44-32-43-41-20-10-12-22-45(41)50(47(43)33-48(44)51)37-18-8-3-9-19-37;1-4-12-33(13-5-1)34-20-22-35(23-21-34)36-24-26-39(27-25-36)49(37-14-6-2-7-15-37)40-28-30-44-43(32-40)47-45(50(44)38-16-8-3-9-17-38)31-29-42-41-18-10-11-19-46(41)51-48(42)47;1-47(2)40-16-10-8-14-35(40)37-24-22-33(28-42(37)47)49(32-20-18-31(19-21-32)30-12-6-5-7-13-30)34-23-25-39-44(29-34)50-43-27-26-38-36-15-9-11-17-41(36)48(3,4)46(38)45(39)43;1-45(2)41-27-24-32(31-22-25-36(26-23-31)46(33-14-6-3-7-15-33)34-16-8-4-9-17-34)28-38(41)39-29-40-37-20-12-13-21-43(37)47(44(40)30-42(39)45)35-18-10-5-11-19-35;1-3-10-28(11-4-1)29-18-21-33(22-19-29)43(32-13-5-2-6-14-32)34-15-9-12-30(26-34)31-20-24-39-37(27-31)35-23-25-40-41(42(35)45-39)36-16-7-8-17-38(36)44-40;1-3-9-26(10-4-1)27-17-20-31(21-18-27)39(30-11-5-2-6-12-30)32-22-24-33-29(25-32)16-15-28-19-23-35-34-13-7-8-14-36(34)40-38(35)37(28)33;1-3-9-24(10-4-1)25-15-17-27(18-16-25)37(26-11-5-2-6-12-26)28-19-20-30-32-22-31-29-13-7-8-14-33(29)38-35(31)23-36(32)39-34(30)21-28/h3-35H,1-2H3;3-31H,1-2H3;2*1-33H;1-32H;5-29H,1-4H3;3-30H,1-2H3;1-27H;1-25H;1-23H
InChIKeyQAHJEPPDDJOLRK-UHFFFAOYSA-N
MW6197.80 g/mol
LogP128.05
Rot. Bonds51

About N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine;N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-3-amine;9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-N,N-diphenylaniline;3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-N-phenyl-N-(4-phenylphenyl)aniline;N,4-diphenyl-N-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]aniline;N,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine;N-phenyl-N-(4-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine;N,9,14-triphenyl-N-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine

N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine;N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-3-amine;9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-N,N-diphenylaniline;3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-N-phenyl-N-(4-phenylphenyl)aniline;N,4-diphenyl-N-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]aniline;N,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine;N-phenyl-N-(4-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine;N,9,14-triphenyl-N-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine (PubChem CID 163889421) has the molecular formula C456H318N16O7S2 and a molecular weight of 6197.80 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine;N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-3-amine;9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-N,N-diphenylaniline;3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-N-phenyl-N-(4-phenylphenyl)aniline;N,4-diphenyl-N-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]aniline;N,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine;N-phenyl-N-(4-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine;N,9,14-triphenyl-N-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine;N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-3-amine;9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-N,N-diphenylaniline;3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-N-phenyl-N-(4-phenylphenyl)aniline;N,4-diphenyl-N-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]aniline;N,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine;N-phenyl-N-(4-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine;N,9,14-triphenyl-N-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
PubChem CID163889421
Molecular FormulaC456H318N16O7S2
Molecular Weight6197.80 g/mol
Exact Mass6192.45
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine;N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-3-amine;9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-N,N-diphenylaniline;3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-N-phenyl-N-(4-phenylphenyl)aniline;N,4-diphenyl-N-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]aniline;N,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine;N-phenyl-N-(4-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine;N,9,14-triphenyl-N-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)ccc2-c2c1ccc1c2oc2ccccc21.CC1(C)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2-c2cc3c4ccccc4n(-c4ccccc4)c3cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3ccc5c(c34)C(C)(C)c3ccccc3-5)cc21.c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4c6oc7ccccc7c6ccc4n5-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)sc3cc5sc6ccccc6c5cc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(ccc5ccc6c7ccccc7oc6c54)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c5c6c7ccccc7n(-c7ccccc7)c6ccc5n(-c5ccccc5)c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5oc6c(ccc7oc8ccccc8c76)c5c4)c3)cc2)cc1
InChIInChI=1S/C52H39N.C51H35NO2.2C48H33N3.C48H32N2O.C48H37NO.C45H34N2.C42H27NO2.C38H25NO.C36H23NS2/c1-51(2)47-22-12-9-19-43(47)46-34-33-42(35-50(46)51)53(40-29-25-37(26-30-40)36-15-5-3-6-16-36)41-31-27-39(28-32-41)52(38-17-7-4-8-18-38)48-23-13-10-20-44(48)45-21-11-14-24-49(45)52;1-51(2)44-30-29-42-40-14-7-9-18-47(40)54-50(42)48(44)43-28-27-37(31-45(43)51)52(35-23-19-33(20-24-35)32-11-4-3-5-12-32)36-25-21-34(22-26-36)38-15-10-16-41-39-13-6-8-17-46(39)53-49(38)41;1-5-15-34(16-6-1)35-25-27-39(28-26-35)49(36-17-7-2-8-18-36)40-29-30-42-46(33-40)51(38-21-11-4-12-22-38)45-32-31-44-47(48(42)45)41-23-13-14-24-43(41)50(44)37-19-9-3-10-20-37;1-4-14-34(15-5-1)35-24-26-38(27-25-35)49(36-16-6-2-7-17-36)39-28-30-40(31-29-39)51-46-23-13-11-21-42(46)44-32-43-41-20-10-12-22-45(41)50(47(43)33-48(44)51)37-18-8-3-9-19-37;1-4-12-33(13-5-1)34-20-22-35(23-21-34)36-24-26-39(27-25-36)49(37-14-6-2-7-15-37)40-28-30-44-43(32-40)47-45(50(44)38-16-8-3-9-17-38)31-29-42-41-18-10-11-19-46(41)51-48(42)47;1-47(2)40-16-10-8-14-35(40)37-24-22-33(28-42(37)47)49(32-20-18-31(19-21-32)30-12-6-5-7-13-30)34-23-25-39-44(29-34)50-43-27-26-38-36-15-9-11-17-41(36)48(3,4)46(38)45(39)43;1-45(2)41-27-24-32(31-22-25-36(26-23-31)46(33-14-6-3-7-15-33)34-16-8-4-9-17-34)28-38(41)39-29-40-37-20-12-13-21-43(37)47(44(40)30-42(39)45)35-18-10-5-11-19-35;1-3-10-28(11-4-1)29-18-21-33(22-19-29)43(32-13-5-2-6-14-32)34-15-9-12-30(26-34)31-20-24-39-37(27-31)35-23-25-40-41(42(35)45-39)36-16-7-8-17-38(36)44-40;1-3-9-26(10-4-1)27-17-20-31(21-18-27)39(30-11-5-2-6-12-30)32-22-24-33-29(25-32)16-15-28-19-23-35-34-13-7-8-14-36(34)40-38(35)37(28)33;1-3-9-24(10-4-1)25-15-17-27(18-16-25)37(26-11-5-2-6-12-26)28-19-20-30-32-22-31-29-13-7-8-14-33(29)38-35(31)23-36(32)39-34(30)21-28/h3-35H,1-2H3;3-31H,1-2H3;2*1-33H;1-32H;5-29H,1-4H3;3-30H,1-2H3;1-27H;1-25H;1-23H
InChIKeyQAHJEPPDDJOLRK-UHFFFAOYSA-N
XLogP128.05
TPSA153.96 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds51
Heavy Atoms481
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006197.80
LogP ≤ 5128.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine;N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-3-amine;9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-N,N-diphenylaniline;3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-N-phenyl-N-(4-phenylphenyl)aniline;N,4-diphenyl-N-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]aniline;N,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine;N-phenyl-N-(4-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine;N,9,14-triphenyl-N-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine with MolForge

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What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine;N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-3-amine;9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-N,N-diphenylaniline;3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-N-phenyl-N-(4-phenylphenyl)aniline;N,4-diphenyl-N-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]aniline;N,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine;N-phenyl-N-(4-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine;N,9,14-triphenyl-N-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine;N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-3-amine;9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-N,N-diphenylaniline;3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-N-phenyl-N-(4-phenylphenyl)aniline;N,4-diphenyl-N-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]aniline;N,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine;N-phenyl-N-(4-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine;N,9,14-triphenyl-N-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine (CID 163889421) is N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine;N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-3-amine;9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-N,N-diphenylaniline;3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-N-phenyl-N-(4-phenylphenyl)aniline;N,4-diphenyl-N-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]aniline;N,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine;N-phenyl-N-(4-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine;N,9,14-triphenyl-N-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine;N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-3-amine;9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-N,N-diphenylaniline;3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-N-phenyl-N-(4-phenylphenyl)aniline;N,4-diphenyl-N-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]aniline;N,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine;N-phenyl-N-(4-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine;N,9,14-triphenyl-N-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine;N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-3-amine;9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-N,N-diphenylaniline;3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-N-phenyl-N-(4-phenylphenyl)aniline;N,4-diphenyl-N-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]aniline;N,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine;N-phenyl-N-(4-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine;N,9,14-triphenyl-N-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine is CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)ccc2-c2c1ccc1c2oc2ccccc21.CC1(C)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2-c2cc3c4ccccc4n(-c4ccccc4)c3cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3ccc5c(c34)C(C)(C)c3ccccc3-5)cc21.c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4c6oc7ccccc7c6ccc4n5-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)sc3cc5sc6ccccc6c5cc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(ccc5ccc6c7ccccc7oc6c54)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c5c6c7ccccc7n(-c7ccccc7)c6ccc5n(-c5ccccc5)c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5oc6c(ccc7oc8ccccc8c76)c5c4)c3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine;N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-3-amine;9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-N,N-diphenylaniline;3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-N-phenyl-N-(4-phenylphenyl)aniline;N,4-diphenyl-N-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]aniline;N,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine;N-phenyl-N-(4-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine;N,9,14-triphenyl-N-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine?
The InChIKey is QAHJEPPDDJOLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39N.C51H35NO2.2C48H33N3.C48H32N2O.C48H37NO.C45H34N2.C42H27NO2.C38H25NO.C36H23NS2/c1-51(2)47-22-12-9-19-43(47)46-34-33-42(35-50(46)51)53(40-29-25-37(26-30-40)36-15-5-3-6-16-36)41-31-27-39(28-32-41)52(38-17-7-4-8-18-38)48-23-13-10-20-44(48)45-21-11-14-24-49(45)52;1-51(2)44-30-29-42-40-14-7-9-18-47(40)54-50(42)48(44)43-28-27-37(31-45(43)51)52(35-23-19-33(20-24-35)32-11-4-3-5-12-32)36-25-21-34(22-26-36)38-15-10-16-41-39-13-6-8-17-46(39)53-49(38)41;1-5-15-34(16-6-1)35-25-27-39(28-26-35)49(36-17-7-2-8-18-36)40-29-30-42-46(33-40)51(38-21-11-4-12-22-38)45-32-31-44-47(48(42)45)41-23-13-14-24-43(41)50(44)37-19-9-3-10-20-37;1-4-14-34(15-5-1)35-24-26-38(27-25-35)49(36-16-6-2-7-17-36)39-28-30-40(31-29-39)51-46-23-13-11-21-42(46)44-32-43-41-20-10-12-22-45(41)50(47(43)33-48(44)51)37-18-8-3-9-19-37;1-4-12-33(13-5-1)34-20-22-35(23-21-34)36-24-26-39(27-25-36)49(37-14-6-2-7-15-37)40-28-30-44-43(32-40)47-45(50(44)38-16-8-3-9-17-38)31-29-42-41-18-10-11-19-46(41)51-48(42)47;1-47(2)40-16-10-8-14-35(40)37-24-22-33(28-42(37)47)49(32-20-18-31(19-21-32)30-12-6-5-7-13-30)34-23-25-39-44(29-34)50-43-27-26-38-36-15-9-11-17-41(36)48(3,4)46(38)45(39)43;1-45(2)41-27-24-32(31-22-25-36(26-23-31)46(33-14-6-3-7-15-33)34-16-8-4-9-17-34)28-38(41)39-29-40-37-20-12-13-21-43(37)47(44(40)30-42(39)45)35-18-10-5-11-19-35;1-3-10-28(11-4-1)29-18-21-33(22-19-29)43(32-13-5-2-6-14-32)34-15-9-12-30(26-34)31-20-24-39-37(27-31)35-23-25-40-41(42(35)45-39)36-16-7-8-17-38(36)44-40;1-3-9-26(10-4-1)27-17-20-31(21-18-27)39(30-11-5-2-6-12-30)32-22-24-33-29(25-32)16-15-28-19-23-35-34-13-7-8-14-36(34)40-38(35)37(28)33;1-3-9-24(10-4-1)25-15-17-27(18-16-25)37(26-11-5-2-6-12-26)28-19-20-30-32-22-31-29-13-7-8-14-33(29)38-35(31)23-36(32)39-34(30)21-28/h3-35H,1-2H3;3-31H,1-2H3;2*1-33H;1-32H;5-29H,1-4H3;3-30H,1-2H3;1-27H;1-25H;1-23H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine;N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-3-amine;9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-N,N-diphenylaniline;3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-N-phenyl-N-(4-phenylphenyl)aniline;N,4-diphenyl-N-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]aniline;N,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine;N-phenyl-N-(4-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine;N,9,14-triphenyl-N-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine?
N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine;N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-3-amine;9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-N,N-diphenylaniline;3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-N-phenyl-N-(4-phenylphenyl)aniline;N,4-diphenyl-N-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]aniline;N,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine;N-phenyl-N-(4-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine;N,9,14-triphenyl-N-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine has a molecular weight of 6197.80 g/mol, XLogP of 128.05, 51 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine;N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-3-amine;9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-N,N-diphenylaniline;3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-N-phenyl-N-(4-phenylphenyl)aniline;N,4-diphenyl-N-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]aniline;N,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine;N-phenyl-N-(4-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine;N,9,14-triphenyl-N-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine is sourced from PubChem (CID 163889421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).