14-[3-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]-3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3-(3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)-N,N-bis(4-phenylphenyl)aniline;[3-(3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-diphenylmethanol;3,3-dimethyl-14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-(3-phenanthren-9-ylphenyl)-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene

C384H271N17O — CID 158481420

IUPAC14-[3-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]-3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3-(3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)-N,N-bis(4-phenylphenyl)aniline;[3-(3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-diphenylmethanol;3,3-dimethyl-14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-(3-phenanthren-9-ylphenyl)-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
SMILESCC1(C)c2ccccc2-c2ccc3c(-c4cccc(-c5cc(N6c7ccccc7C7C=CC=CC76)cc(-n6c7ccccc7c7ccccc76)c5)c4)nc4ccccc4c3c21.CC1(C)c2ccccc2-c2ccc3c(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)nc4ccccc4c3c21.CC1(C)c2ccccc2-c2ccc3c(-c4cccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c4)nc4ccccc4c3c21.CC1(C)c2ccccc2-c2ccc3c(-c4cccc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)c4)nc4ccccc4c3c21.CC1(C)c2ccccc2-c2ccc3c(-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)nc4ccccc4c3c21.CC1(C)c2ccccc2-c2ccc3c(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)c4)nc4ccccc4c3c21.CC1(C)c2ccccc2-c2ccc3c(-c4cccc(C(O)(c5ccccc5)c5ccccc5)c4)nc4ccccc4c3c21.CC1(C)c2ccccc2-c2ccc3c(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)c4)nc4ccccc4c3c21
InChIInChI=1S/C58H41N3.C52H35N3.C52H38N2.C48H33N.C47H33N3.C44H31N3.C42H29N.C41H31NO/c1-58(2)49-24-9-3-18-41(49)46-30-31-48-55(56(46)58)47-23-4-10-25-50(47)59-57(48)37-17-15-16-36(32-37)38-33-39(60-51-26-11-5-19-42(51)43-20-6-12-27-52(43)60)35-40(34-38)61-53-28-13-7-21-44(53)45-22-8-14-29-54(45)61;1-52(2)43-23-10-6-19-35(43)38-27-30-42-47(48(38)52)41-22-7-11-24-44(41)53-49(42)32-15-14-18-34(31-32)55-46-26-13-9-21-37(46)40-29-28-39-36-20-8-12-25-45(36)54(50(39)51(40)55)33-16-4-3-5-17-33;1-52(2)47-22-11-9-20-43(47)44-32-33-46-49(50(44)52)45-21-10-12-23-48(45)53-51(46)39-18-13-19-42(34-39)54(40-28-24-37(25-29-40)35-14-5-3-6-15-35)41-30-26-38(27-31-41)36-16-7-4-8-17-36;1-48(2)43-16-7-5-14-39(43)40-24-25-42-45(46(40)48)41-15-6-8-17-44(41)49-47(42)38-13-9-12-32(29-38)33-20-21-37-28-36(23-22-35(37)27-33)34-19-18-30-10-3-4-11-31(30)26-34;1-47(2)39-19-8-6-17-35(39)36-27-28-38-43(44(36)47)37-18-7-9-20-40(37)48-45(38)33-14-12-13-32(29-33)30-23-25-31(26-24-30)46-49-41-21-10-11-22-42(41)50(46)34-15-4-3-5-16-34;1-44(2)36-22-11-9-20-32(36)33-24-25-35-40(41(33)44)34-21-10-12-23-37(34)45-42(35)30-18-13-19-31(26-30)43-46-38(28-14-5-3-6-15-28)27-39(47-43)29-16-7-4-8-17-29;1-42(2)37-20-9-7-18-32(37)33-22-23-35-39(40(33)42)34-19-8-10-21-38(34)43-41(35)28-14-11-13-26(24-28)36-25-27-12-3-4-15-29(27)30-16-5-6-17-31(30)36;1-40(2)35-22-11-9-20-31(35)32-24-25-34-37(38(32)40)33-21-10-12-23-36(33)42-39(34)27-14-13-19-30(26-27)41(43,28-15-5-3-6-16-28)29-17-7-4-8-18-29/h3-35,42,51H,1-2H3;3-31H,1-2H3;3-34H,1-2H3;3-29H,1-2H3;3-29H,1-2H3;3-27H,1-2H3;3-25H,1-2H3;3-26,43H,1-2H3
InChIKeyHHOGJTUWUMSKCV-UHFFFAOYSA-N
MW5139.51 g/mol
LogP99.74
Rot. Bonds30

About 14-[3-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]-3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3-(3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)-N,N-bis(4-phenylphenyl)aniline;[3-(3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-diphenylmethanol;3,3-dimethyl-14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-(3-phenanthren-9-ylphenyl)-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene

14-[3-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]-3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3-(3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)-N,N-bis(4-phenylphenyl)aniline;[3-(3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-diphenylmethanol;3,3-dimethyl-14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-(3-phenanthren-9-ylphenyl)-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene (PubChem CID 158481420) has the molecular formula C384H271N17O and a molecular weight of 5139.51 g/mol. Its IUPAC name is 14-[3-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]-3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3-(3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)-N,N-bis(4-phenylphenyl)aniline;[3-(3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-diphenylmethanol;3,3-dimethyl-14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-(3-phenanthren-9-ylphenyl)-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene.

Molecular Properties

Compound Name14-[3-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]-3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3-(3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)-N,N-bis(4-phenylphenyl)aniline;[3-(3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-diphenylmethanol;3,3-dimethyl-14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-(3-phenanthren-9-ylphenyl)-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
PubChem CID158481420
Molecular FormulaC384H271N17O
Molecular Weight5139.51 g/mol
Exact Mass5135.17
IUPAC Name14-[3-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]-3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3-(3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)-N,N-bis(4-phenylphenyl)aniline;[3-(3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-diphenylmethanol;3,3-dimethyl-14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-(3-phenanthren-9-ylphenyl)-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
SMILESCC1(C)c2ccccc2-c2ccc3c(-c4cccc(-c5cc(N6c7ccccc7C7C=CC=CC76)cc(-n6c7ccccc7c7ccccc76)c5)c4)nc4ccccc4c3c21.CC1(C)c2ccccc2-c2ccc3c(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)nc4ccccc4c3c21.CC1(C)c2ccccc2-c2ccc3c(-c4cccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c4)nc4ccccc4c3c21.CC1(C)c2ccccc2-c2ccc3c(-c4cccc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)c4)nc4ccccc4c3c21.CC1(C)c2ccccc2-c2ccc3c(-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)nc4ccccc4c3c21.CC1(C)c2ccccc2-c2ccc3c(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)c4)nc4ccccc4c3c21.CC1(C)c2ccccc2-c2ccc3c(-c4cccc(C(O)(c5ccccc5)c5ccccc5)c4)nc4ccccc4c3c21.CC1(C)c2ccccc2-c2ccc3c(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)c4)nc4ccccc4c3c21
InChIInChI=1S/C58H41N3.C52H35N3.C52H38N2.C48H33N.C47H33N3.C44H31N3.C42H29N.C41H31NO/c1-58(2)49-24-9-3-18-41(49)46-30-31-48-55(56(46)58)47-23-4-10-25-50(47)59-57(48)37-17-15-16-36(32-37)38-33-39(60-51-26-11-5-19-42(51)43-20-6-12-27-52(43)60)35-40(34-38)61-53-28-13-7-21-44(53)45-22-8-14-29-54(45)61;1-52(2)43-23-10-6-19-35(43)38-27-30-42-47(48(38)52)41-22-7-11-24-44(41)53-49(42)32-15-14-18-34(31-32)55-46-26-13-9-21-37(46)40-29-28-39-36-20-8-12-25-45(36)54(50(39)51(40)55)33-16-4-3-5-17-33;1-52(2)47-22-11-9-20-43(47)44-32-33-46-49(50(44)52)45-21-10-12-23-48(45)53-51(46)39-18-13-19-42(34-39)54(40-28-24-37(25-29-40)35-14-5-3-6-15-35)41-30-26-38(27-31-41)36-16-7-4-8-17-36;1-48(2)43-16-7-5-14-39(43)40-24-25-42-45(46(40)48)41-15-6-8-17-44(41)49-47(42)38-13-9-12-32(29-38)33-20-21-37-28-36(23-22-35(37)27-33)34-19-18-30-10-3-4-11-31(30)26-34;1-47(2)39-19-8-6-17-35(39)36-27-28-38-43(44(36)47)37-18-7-9-20-40(37)48-45(38)33-14-12-13-32(29-33)30-23-25-31(26-24-30)46-49-41-21-10-11-22-42(41)50(46)34-15-4-3-5-16-34;1-44(2)36-22-11-9-20-32(36)33-24-25-35-40(41(33)44)34-21-10-12-23-37(34)45-42(35)30-18-13-19-31(26-30)43-46-38(28-14-5-3-6-15-28)27-39(47-43)29-16-7-4-8-17-29;1-42(2)37-20-9-7-18-32(37)33-22-23-35-39(40(33)42)34-19-8-10-21-38(34)43-41(35)28-14-11-13-26(24-28)36-25-27-12-3-4-15-29(27)30-16-5-6-17-31(30)36;1-40(2)35-22-11-9-20-31(35)32-24-25-34-37(38(32)40)33-21-10-12-23-36(33)42-39(34)27-14-13-19-30(26-27)41(43,28-15-5-3-6-16-28)29-17-7-4-8-18-29/h3-35,42,51H,1-2H3;3-31H,1-2H3;3-34H,1-2H3;3-29H,1-2H3;3-29H,1-2H3;3-27H,1-2H3;3-25H,1-2H3;3-26,43H,1-2H3
InChIKeyHHOGJTUWUMSKCV-UHFFFAOYSA-N
XLogP99.74
TPSA188.22 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds30
Heavy Atoms402
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005139.51
LogP ≤ 599.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze 14-[3-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]-3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3-(3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)-N,N-bis(4-phenylphenyl)aniline;[3-(3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-diphenylmethanol;3,3-dimethyl-14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-(3-phenanthren-9-ylphenyl)-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene with MolForge

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What is the IUPAC name of 14-[3-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]-3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3-(3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)-N,N-bis(4-phenylphenyl)aniline;[3-(3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-diphenylmethanol;3,3-dimethyl-14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-(3-phenanthren-9-ylphenyl)-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?
The IUPAC name of 14-[3-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]-3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3-(3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)-N,N-bis(4-phenylphenyl)aniline;[3-(3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-diphenylmethanol;3,3-dimethyl-14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-(3-phenanthren-9-ylphenyl)-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene (CID 158481420) is 14-[3-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]-3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3-(3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)-N,N-bis(4-phenylphenyl)aniline;[3-(3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-diphenylmethanol;3,3-dimethyl-14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-(3-phenanthren-9-ylphenyl)-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene.
What is the SMILES notation for 14-[3-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]-3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3-(3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)-N,N-bis(4-phenylphenyl)aniline;[3-(3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-diphenylmethanol;3,3-dimethyl-14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-(3-phenanthren-9-ylphenyl)-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?
The canonical SMILES for 14-[3-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]-3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3-(3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)-N,N-bis(4-phenylphenyl)aniline;[3-(3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-diphenylmethanol;3,3-dimethyl-14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-(3-phenanthren-9-ylphenyl)-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene is CC1(C)c2ccccc2-c2ccc3c(-c4cccc(-c5cc(N6c7ccccc7C7C=CC=CC76)cc(-n6c7ccccc7c7ccccc76)c5)c4)nc4ccccc4c3c21.CC1(C)c2ccccc2-c2ccc3c(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)nc4ccccc4c3c21.CC1(C)c2ccccc2-c2ccc3c(-c4cccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c4)nc4ccccc4c3c21.CC1(C)c2ccccc2-c2ccc3c(-c4cccc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)c4)nc4ccccc4c3c21.CC1(C)c2ccccc2-c2ccc3c(-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)nc4ccccc4c3c21.CC1(C)c2ccccc2-c2ccc3c(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)c4)nc4ccccc4c3c21.CC1(C)c2ccccc2-c2ccc3c(-c4cccc(C(O)(c5ccccc5)c5ccccc5)c4)nc4ccccc4c3c21.CC1(C)c2ccccc2-c2ccc3c(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)c4)nc4ccccc4c3c21.
What is the InChIKey of 14-[3-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]-3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3-(3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)-N,N-bis(4-phenylphenyl)aniline;[3-(3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-diphenylmethanol;3,3-dimethyl-14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-(3-phenanthren-9-ylphenyl)-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?
The InChIKey is HHOGJTUWUMSKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N3.C52H35N3.C52H38N2.C48H33N.C47H33N3.C44H31N3.C42H29N.C41H31NO/c1-58(2)49-24-9-3-18-41(49)46-30-31-48-55(56(46)58)47-23-4-10-25-50(47)59-57(48)37-17-15-16-36(32-37)38-33-39(60-51-26-11-5-19-42(51)43-20-6-12-27-52(43)60)35-40(34-38)61-53-28-13-7-21-44(53)45-22-8-14-29-54(45)61;1-52(2)43-23-10-6-19-35(43)38-27-30-42-47(48(38)52)41-22-7-11-24-44(41)53-49(42)32-15-14-18-34(31-32)55-46-26-13-9-21-37(46)40-29-28-39-36-20-8-12-25-45(36)54(50(39)51(40)55)33-16-4-3-5-17-33;1-52(2)47-22-11-9-20-43(47)44-32-33-46-49(50(44)52)45-21-10-12-23-48(45)53-51(46)39-18-13-19-42(34-39)54(40-28-24-37(25-29-40)35-14-5-3-6-15-35)41-30-26-38(27-31-41)36-16-7-4-8-17-36;1-48(2)43-16-7-5-14-39(43)40-24-25-42-45(46(40)48)41-15-6-8-17-44(41)49-47(42)38-13-9-12-32(29-38)33-20-21-37-28-36(23-22-35(37)27-33)34-19-18-30-10-3-4-11-31(30)26-34;1-47(2)39-19-8-6-17-35(39)36-27-28-38-43(44(36)47)37-18-7-9-20-40(37)48-45(38)33-14-12-13-32(29-33)30-23-25-31(26-24-30)46-49-41-21-10-11-22-42(41)50(46)34-15-4-3-5-16-34;1-44(2)36-22-11-9-20-32(36)33-24-25-35-40(41(33)44)34-21-10-12-23-37(34)45-42(35)30-18-13-19-31(26-30)43-46-38(28-14-5-3-6-15-28)27-39(47-43)29-16-7-4-8-17-29;1-42(2)37-20-9-7-18-32(37)33-22-23-35-39(40(33)42)34-19-8-10-21-38(34)43-41(35)28-14-11-13-26(24-28)36-25-27-12-3-4-15-29(27)30-16-5-6-17-31(30)36;1-40(2)35-22-11-9-20-31(35)32-24-25-34-37(38(32)40)33-21-10-12-23-36(33)42-39(34)27-14-13-19-30(26-27)41(43,28-15-5-3-6-16-28)29-17-7-4-8-18-29/h3-35,42,51H,1-2H3;3-31H,1-2H3;3-34H,1-2H3;3-29H,1-2H3;3-29H,1-2H3;3-27H,1-2H3;3-25H,1-2H3;3-26,43H,1-2H3.
What are the key properties of 14-[3-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]-3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3-(3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)-N,N-bis(4-phenylphenyl)aniline;[3-(3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-diphenylmethanol;3,3-dimethyl-14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-(3-phenanthren-9-ylphenyl)-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?
14-[3-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]-3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3-(3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)-N,N-bis(4-phenylphenyl)aniline;[3-(3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-diphenylmethanol;3,3-dimethyl-14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-(3-phenanthren-9-ylphenyl)-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene has a molecular weight of 5139.51 g/mol, XLogP of 99.74, 30 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[3-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]-3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3-(3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)-N,N-bis(4-phenylphenyl)aniline;[3-(3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-diphenylmethanol;3,3-dimethyl-14-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-(3-phenanthren-9-ylphenyl)-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3,3-dimethyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,3-dimethyl-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene is sourced from PubChem (CID 158481420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).