N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.017,22.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16(31),17,19,21,23,25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.018,23.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16,18,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.020,31.021,30.022,27]hentriaconta-2(14),3,6,8,10,12,16,18,20(31),21(30),22,24,26,28-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.07,12.024,31.025,30]hentriaconta-2(18),3,6(15),7,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.08,13.024,31.025,30]hentriaconta-2(18),3,6,8,10,12,14,16,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.09,14.024,31.025,30]hentriaconta-2(18),3,6(15),7,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.017,22.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16(31),17,19,21,23,25,27,29-tetradecaene

C383H266N30 — CID 158640328

IUPACN-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.017,22.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16(31),17,19,21,23,25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.018,23.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16,18,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.020,31.021,30.022,27]hentriaconta-2(14),3,6,8,10,12,16,18,20(31),21(30),22,24,26,28-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.07,12.024,31.025,30]hentriaconta-2(18),3,6(15),7,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.08,13.024,31.025,30]hentriaconta-2(18),3,6,8,10,12,14,16,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.09,14.024,31.025,30]hentriaconta-2(18),3,6(15),7,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.017,22.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16(31),17,19,21,23,25,27,29-tetradecaene
SMILESCC1(C)c2cc3c4c5ccccc5ccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3cc2-n2c3ccccc3c3cccc1c32.CC1(C)c2cc3c4cc5ccccc5cc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3cc2-n2c3ccccc3c3cccc1c32.CC1(C)c2cc3c4ccc5ccccc5c4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3cc2-n2c3ccccc3c3cccc1c32.CC1(C)c2cc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)c3cc2-n2c3ccccc3c3cc4ccccc4c1c32.CC1(C)c2cc3c4ccccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3cc2-n2c3ccc4ccccc4c3c3cccc1c32.CC1(C)c2cc3c4ccccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3cc2-n2c3ccccc3c3c4ccccc4cc1c32.CC1(C)c2cc3c4ccccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3cc2-n2c3ccccc3c3cc4ccccc4c1c32.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4cccc6c4n5-c4ccccc4C6(C)C)cc3)cc21
InChIInChI=1S/C53H36N4.C48H38N2.6C47H32N4/c1-53(2)43-30-41-39-21-11-13-23-46(39)56(48(41)32-49(43)57-47-24-14-12-22-40(47)42-29-36-19-9-10-20-38(36)50(53)51(42)57)37-27-25-35(26-28-37)52-54-44(33-15-5-3-6-16-33)31-45(55-52)34-17-7-4-8-18-34;1-47(2)40-17-9-8-15-36(40)37-27-26-35(30-43(37)47)49(33-13-6-5-7-14-33)34-24-21-31(22-25-34)32-23-28-44-39(29-32)38-16-12-19-42-46(38)50(44)45-20-11-10-18-41(45)48(42,3)4;1-47(2)37-26-35-33-21-11-14-24-41(33)51(46-48-38(29-15-5-3-6-16-29)27-39(49-46)30-17-7-4-8-18-30)42(35)28-43(37)50-40-23-13-12-22-34(40)36-25-31-19-9-10-20-32(31)44(47)45(36)50;1-47(2)36-26-35-33-21-11-13-23-40(33)51(46-48-38(29-15-5-3-6-16-29)27-39(49-46)30-17-7-4-8-18-30)42(35)28-43(36)50-41-24-14-12-22-34(41)44-32-20-10-9-19-31(32)25-37(47)45(44)50;1-47(2)36-22-13-21-34-44-32-19-10-9-14-29(32)24-25-41(44)50(45(34)36)43-28-42-35(26-37(43)47)33-20-11-12-23-40(33)51(42)46-48-38(30-15-5-3-6-16-30)27-39(49-46)31-17-7-4-8-18-31;1-47(2)36-22-13-21-34-33-20-11-12-23-40(33)50(45(34)36)43-28-42-35(26-37(43)47)44-32-19-10-9-14-29(32)24-25-41(44)51(42)46-48-38(30-15-5-3-6-16-30)27-39(49-46)31-17-7-4-8-18-31;1-47(2)37-22-13-21-34-33-20-11-12-23-41(33)50(45(34)37)43-28-42-36(26-38(43)47)35-25-24-29-14-9-10-19-32(29)44(35)51(42)46-48-39(30-15-5-3-6-16-30)27-40(49-46)31-17-7-4-8-18-31;1-47(2)37-22-13-21-34-33-20-11-12-23-41(33)50(45(34)37)44-28-43-36(26-38(44)47)35-24-31-18-9-10-19-32(31)25-42(35)51(43)46-48-39(29-14-5-3-6-15-29)27-40(49-46)30-16-7-4-8-17-30/h3-32H,1-2H3;5-30H,1-4H3;6*3-28H,1-2H3
InChIKeyIAHJIXWXAQYRTQ-UHFFFAOYSA-N
MW5288.55 g/mol
LogP97.11
Rot. Bonds26

About N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.017,22.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16(31),17,19,21,23,25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.018,23.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16,18,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.020,31.021,30.022,27]hentriaconta-2(14),3,6,8,10,12,16,18,20(31),21(30),22,24,26,28-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.07,12.024,31.025,30]hentriaconta-2(18),3,6(15),7,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.08,13.024,31.025,30]hentriaconta-2(18),3,6,8,10,12,14,16,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.09,14.024,31.025,30]hentriaconta-2(18),3,6(15),7,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.017,22.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16(31),17,19,21,23,25,27,29-tetradecaene

N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.017,22.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16(31),17,19,21,23,25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.018,23.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16,18,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.020,31.021,30.022,27]hentriaconta-2(14),3,6,8,10,12,16,18,20(31),21(30),22,24,26,28-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.07,12.024,31.025,30]hentriaconta-2(18),3,6(15),7,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.08,13.024,31.025,30]hentriaconta-2(18),3,6,8,10,12,14,16,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.09,14.024,31.025,30]hentriaconta-2(18),3,6(15),7,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.017,22.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16(31),17,19,21,23,25,27,29-tetradecaene (PubChem CID 158640328) has the molecular formula C383H266N30 and a molecular weight of 5288.55 g/mol. Its IUPAC name is N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.017,22.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16(31),17,19,21,23,25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.018,23.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16,18,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.020,31.021,30.022,27]hentriaconta-2(14),3,6,8,10,12,16,18,20(31),21(30),22,24,26,28-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.07,12.024,31.025,30]hentriaconta-2(18),3,6(15),7,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.08,13.024,31.025,30]hentriaconta-2(18),3,6,8,10,12,14,16,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.09,14.024,31.025,30]hentriaconta-2(18),3,6(15),7,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.017,22.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16(31),17,19,21,23,25,27,29-tetradecaene.

Molecular Properties

Compound NameN-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.017,22.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16(31),17,19,21,23,25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.018,23.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16,18,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.020,31.021,30.022,27]hentriaconta-2(14),3,6,8,10,12,16,18,20(31),21(30),22,24,26,28-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.07,12.024,31.025,30]hentriaconta-2(18),3,6(15),7,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.08,13.024,31.025,30]hentriaconta-2(18),3,6,8,10,12,14,16,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.09,14.024,31.025,30]hentriaconta-2(18),3,6(15),7,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.017,22.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16(31),17,19,21,23,25,27,29-tetradecaene
PubChem CID158640328
Molecular FormulaC383H266N30
Molecular Weight5288.55 g/mol
Exact Mass5284.17
IUPAC NameN-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.017,22.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16(31),17,19,21,23,25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.018,23.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16,18,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.020,31.021,30.022,27]hentriaconta-2(14),3,6,8,10,12,16,18,20(31),21(30),22,24,26,28-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.07,12.024,31.025,30]hentriaconta-2(18),3,6(15),7,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.08,13.024,31.025,30]hentriaconta-2(18),3,6,8,10,12,14,16,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.09,14.024,31.025,30]hentriaconta-2(18),3,6(15),7,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.017,22.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16(31),17,19,21,23,25,27,29-tetradecaene
SMILESCC1(C)c2cc3c4c5ccccc5ccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3cc2-n2c3ccccc3c3cccc1c32.CC1(C)c2cc3c4cc5ccccc5cc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3cc2-n2c3ccccc3c3cccc1c32.CC1(C)c2cc3c4ccc5ccccc5c4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3cc2-n2c3ccccc3c3cccc1c32.CC1(C)c2cc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)c3cc2-n2c3ccccc3c3cc4ccccc4c1c32.CC1(C)c2cc3c4ccccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3cc2-n2c3ccc4ccccc4c3c3cccc1c32.CC1(C)c2cc3c4ccccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3cc2-n2c3ccccc3c3c4ccccc4cc1c32.CC1(C)c2cc3c4ccccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3cc2-n2c3ccccc3c3cc4ccccc4c1c32.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4cccc6c4n5-c4ccccc4C6(C)C)cc3)cc21
InChIInChI=1S/C53H36N4.C48H38N2.6C47H32N4/c1-53(2)43-30-41-39-21-11-13-23-46(39)56(48(41)32-49(43)57-47-24-14-12-22-40(47)42-29-36-19-9-10-20-38(36)50(53)51(42)57)37-27-25-35(26-28-37)52-54-44(33-15-5-3-6-16-33)31-45(55-52)34-17-7-4-8-18-34;1-47(2)40-17-9-8-15-36(40)37-27-26-35(30-43(37)47)49(33-13-6-5-7-14-33)34-24-21-31(22-25-34)32-23-28-44-39(29-32)38-16-12-19-42-46(38)50(44)45-20-11-10-18-41(45)48(42,3)4;1-47(2)37-26-35-33-21-11-14-24-41(33)51(46-48-38(29-15-5-3-6-16-29)27-39(49-46)30-17-7-4-8-18-30)42(35)28-43(37)50-40-23-13-12-22-34(40)36-25-31-19-9-10-20-32(31)44(47)45(36)50;1-47(2)36-26-35-33-21-11-13-23-40(33)51(46-48-38(29-15-5-3-6-16-29)27-39(49-46)30-17-7-4-8-18-30)42(35)28-43(36)50-41-24-14-12-22-34(41)44-32-20-10-9-19-31(32)25-37(47)45(44)50;1-47(2)36-22-13-21-34-44-32-19-10-9-14-29(32)24-25-41(44)50(45(34)36)43-28-42-35(26-37(43)47)33-20-11-12-23-40(33)51(42)46-48-38(30-15-5-3-6-16-30)27-39(49-46)31-17-7-4-8-18-31;1-47(2)36-22-13-21-34-33-20-11-12-23-40(33)50(45(34)36)43-28-42-35(26-37(43)47)44-32-19-10-9-14-29(32)24-25-41(44)51(42)46-48-38(30-15-5-3-6-16-30)27-39(49-46)31-17-7-4-8-18-31;1-47(2)37-22-13-21-34-33-20-11-12-23-41(33)50(45(34)37)43-28-42-36(26-38(43)47)35-25-24-29-14-9-10-19-32(29)44(35)51(42)46-48-39(30-15-5-3-6-16-30)27-40(49-46)31-17-7-4-8-18-31;1-47(2)37-22-13-21-34-33-20-11-12-23-41(33)50(45(34)37)44-28-43-36(26-38(44)47)35-24-31-18-9-10-19-32(31)25-42(35)51(43)46-48-39(29-14-5-3-6-15-29)27-40(49-46)30-16-7-4-8-17-30/h3-32H,1-2H3;5-30H,1-4H3;6*3-28H,1-2H3
InChIKeyIAHJIXWXAQYRTQ-UHFFFAOYSA-N
XLogP97.11
TPSA257.65 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds26
Heavy Atoms413
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005288.55
LogP ≤ 597.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.017,22.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16(31),17,19,21,23,25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.018,23.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16,18,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.020,31.021,30.022,27]hentriaconta-2(14),3,6,8,10,12,16,18,20(31),21(30),22,24,26,28-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.07,12.024,31.025,30]hentriaconta-2(18),3,6(15),7,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.08,13.024,31.025,30]hentriaconta-2(18),3,6,8,10,12,14,16,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.09,14.024,31.025,30]hentriaconta-2(18),3,6(15),7,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.017,22.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16(31),17,19,21,23,25,27,29-tetradecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

15-(4,6-diphenylpyrimidin-2-yl)-24,24-dimethyl-1,15-diazaoctacyclo[17.11.1.02,18.04,16.05,14.06,11.023,31.025,30]hentriaconta-2,4(16),5(14),6,8,10,12,17,19(31),20,22,25,27,29-tetradecaene;26-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,10-dimethyl-17,26-diazaoctacyclo[15.13.1.02,7.09,31.011,16.018,30.019,27.020,25]hentriaconta-1(31),2,4,6,8,11,13,15,18(30),19(27),20,22,24,28-tetradecaene;26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-17,26-diazaoctacyclo[15.13.1.02,7.09,31.011,16.018,30.019,27.020,25]hentriaconta-1(31),2,4,6,8,11,13,15,18(30),19(27),20,22,24,28-tetradecaene
CID 165009508
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;N-[4-(11-naphthalen-1-ylbenzo[a]carbazol-8-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 160984128
N-[3-[7-(9,9-dimethylfluoren-2-yl)benzo[g]carbazol-9-yl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 118349550
5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.020,31.021,30.022,27]hentriaconta-2(14),3,6,8,10,12,16,18,20(31),21(30),22,24,26,28-tetradecaene
CID 121442649
9,9-dimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 156513111
3-[9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-(9,9-dimethylfluoren-2-yl)-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazole
CID 160991667
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine
CID 70853904
7-carbazol-9-yl-9,9-dimethyl-N,N-bis[4-(3-phenylphenyl)phenyl]fluoren-2-amine;bis(N-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine);N-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 161334482
13,13-dimethyl-18-phenyl-15-(9-phenylcarbazol-3-yl)-18-azaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene;24,24-dimethyl-N,N,9-triphenyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaen-6-amine;6-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;14-phenyl-5-(9-phenylcarbazol-3-yl)-9-pyridin-2-yl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,15,17,19,21,23-undecaene
CID 162152000
6-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)benzo[b]carbazole;9,9-dimethyl-N-phenyl-N-[4-(12-phenyl-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-10-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(14-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)phenyl]fluoren-2-amine;6-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)benzo[b]carbazole
CID 159991228
N-[4-(13,13-dimethyl-17-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-10-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121445353
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 90393592

Frequently Asked Questions

What is the IUPAC name of N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.017,22.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16(31),17,19,21,23,25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.018,23.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16,18,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.020,31.021,30.022,27]hentriaconta-2(14),3,6,8,10,12,16,18,20(31),21(30),22,24,26,28-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.07,12.024,31.025,30]hentriaconta-2(18),3,6(15),7,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.08,13.024,31.025,30]hentriaconta-2(18),3,6,8,10,12,14,16,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.09,14.024,31.025,30]hentriaconta-2(18),3,6(15),7,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.017,22.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16(31),17,19,21,23,25,27,29-tetradecaene?
The IUPAC name of N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.017,22.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16(31),17,19,21,23,25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.018,23.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16,18,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.020,31.021,30.022,27]hentriaconta-2(14),3,6,8,10,12,16,18,20(31),21(30),22,24,26,28-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.07,12.024,31.025,30]hentriaconta-2(18),3,6(15),7,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.08,13.024,31.025,30]hentriaconta-2(18),3,6,8,10,12,14,16,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.09,14.024,31.025,30]hentriaconta-2(18),3,6(15),7,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.017,22.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16(31),17,19,21,23,25,27,29-tetradecaene (CID 158640328) is N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.017,22.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16(31),17,19,21,23,25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.018,23.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16,18,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.020,31.021,30.022,27]hentriaconta-2(14),3,6,8,10,12,16,18,20(31),21(30),22,24,26,28-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.07,12.024,31.025,30]hentriaconta-2(18),3,6(15),7,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.08,13.024,31.025,30]hentriaconta-2(18),3,6,8,10,12,14,16,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.09,14.024,31.025,30]hentriaconta-2(18),3,6(15),7,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.017,22.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16(31),17,19,21,23,25,27,29-tetradecaene.
What is the SMILES notation for N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.017,22.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16(31),17,19,21,23,25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.018,23.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16,18,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.020,31.021,30.022,27]hentriaconta-2(14),3,6,8,10,12,16,18,20(31),21(30),22,24,26,28-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.07,12.024,31.025,30]hentriaconta-2(18),3,6(15),7,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.08,13.024,31.025,30]hentriaconta-2(18),3,6,8,10,12,14,16,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.09,14.024,31.025,30]hentriaconta-2(18),3,6(15),7,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.017,22.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16(31),17,19,21,23,25,27,29-tetradecaene?
The canonical SMILES for N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.017,22.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16(31),17,19,21,23,25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.018,23.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16,18,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.020,31.021,30.022,27]hentriaconta-2(14),3,6,8,10,12,16,18,20(31),21(30),22,24,26,28-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.07,12.024,31.025,30]hentriaconta-2(18),3,6(15),7,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.08,13.024,31.025,30]hentriaconta-2(18),3,6,8,10,12,14,16,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.09,14.024,31.025,30]hentriaconta-2(18),3,6(15),7,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.017,22.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16(31),17,19,21,23,25,27,29-tetradecaene is CC1(C)c2cc3c4c5ccccc5ccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3cc2-n2c3ccccc3c3cccc1c32.CC1(C)c2cc3c4cc5ccccc5cc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3cc2-n2c3ccccc3c3cccc1c32.CC1(C)c2cc3c4ccc5ccccc5c4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3cc2-n2c3ccccc3c3cccc1c32.CC1(C)c2cc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)c3cc2-n2c3ccccc3c3cc4ccccc4c1c32.CC1(C)c2cc3c4ccccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3cc2-n2c3ccc4ccccc4c3c3cccc1c32.CC1(C)c2cc3c4ccccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3cc2-n2c3ccccc3c3c4ccccc4cc1c32.CC1(C)c2cc3c4ccccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3cc2-n2c3ccccc3c3cc4ccccc4c1c32.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4cccc6c4n5-c4ccccc4C6(C)C)cc3)cc21.
What is the InChIKey of N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.017,22.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16(31),17,19,21,23,25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.018,23.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16,18,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.020,31.021,30.022,27]hentriaconta-2(14),3,6,8,10,12,16,18,20(31),21(30),22,24,26,28-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.07,12.024,31.025,30]hentriaconta-2(18),3,6(15),7,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.08,13.024,31.025,30]hentriaconta-2(18),3,6,8,10,12,14,16,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.09,14.024,31.025,30]hentriaconta-2(18),3,6(15),7,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.017,22.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16(31),17,19,21,23,25,27,29-tetradecaene?
The InChIKey is IAHJIXWXAQYRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N4.C48H38N2.6C47H32N4/c1-53(2)43-30-41-39-21-11-13-23-46(39)56(48(41)32-49(43)57-47-24-14-12-22-40(47)42-29-36-19-9-10-20-38(36)50(53)51(42)57)37-27-25-35(26-28-37)52-54-44(33-15-5-3-6-16-33)31-45(55-52)34-17-7-4-8-18-34;1-47(2)40-17-9-8-15-36(40)37-27-26-35(30-43(37)47)49(33-13-6-5-7-14-33)34-24-21-31(22-25-34)32-23-28-44-39(29-32)38-16-12-19-42-46(38)50(44)45-20-11-10-18-41(45)48(42,3)4;1-47(2)37-26-35-33-21-11-14-24-41(33)51(46-48-38(29-15-5-3-6-16-29)27-39(49-46)30-17-7-4-8-18-30)42(35)28-43(37)50-40-23-13-12-22-34(40)36-25-31-19-9-10-20-32(31)44(47)45(36)50;1-47(2)36-26-35-33-21-11-13-23-40(33)51(46-48-38(29-15-5-3-6-16-29)27-39(49-46)30-17-7-4-8-18-30)42(35)28-43(36)50-41-24-14-12-22-34(41)44-32-20-10-9-19-31(32)25-37(47)45(44)50;1-47(2)36-22-13-21-34-44-32-19-10-9-14-29(32)24-25-41(44)50(45(34)36)43-28-42-35(26-37(43)47)33-20-11-12-23-40(33)51(42)46-48-38(30-15-5-3-6-16-30)27-39(49-46)31-17-7-4-8-18-31;1-47(2)36-22-13-21-34-33-20-11-12-23-40(33)50(45(34)36)43-28-42-35(26-37(43)47)44-32-19-10-9-14-29(32)24-25-41(44)51(42)46-48-38(30-15-5-3-6-16-30)27-39(49-46)31-17-7-4-8-18-31;1-47(2)37-22-13-21-34-33-20-11-12-23-41(33)50(45(34)37)43-28-42-36(26-38(43)47)35-25-24-29-14-9-10-19-32(29)44(35)51(42)46-48-39(30-15-5-3-6-16-30)27-40(49-46)31-17-7-4-8-18-31;1-47(2)37-22-13-21-34-33-20-11-12-23-41(33)50(45(34)37)44-28-43-36(26-38(44)47)35-24-31-18-9-10-19-32(31)25-42(35)51(43)46-48-39(29-14-5-3-6-15-29)27-40(49-46)30-16-7-4-8-17-30/h3-32H,1-2H3;5-30H,1-4H3;6*3-28H,1-2H3.
What are the key properties of N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.017,22.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16(31),17,19,21,23,25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.018,23.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16,18,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.020,31.021,30.022,27]hentriaconta-2(14),3,6,8,10,12,16,18,20(31),21(30),22,24,26,28-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.07,12.024,31.025,30]hentriaconta-2(18),3,6(15),7,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.08,13.024,31.025,30]hentriaconta-2(18),3,6,8,10,12,14,16,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.09,14.024,31.025,30]hentriaconta-2(18),3,6(15),7,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.017,22.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16(31),17,19,21,23,25,27,29-tetradecaene?
N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.017,22.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16(31),17,19,21,23,25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.018,23.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16,18,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.020,31.021,30.022,27]hentriaconta-2(14),3,6,8,10,12,16,18,20(31),21(30),22,24,26,28-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.07,12.024,31.025,30]hentriaconta-2(18),3,6(15),7,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.08,13.024,31.025,30]hentriaconta-2(18),3,6,8,10,12,14,16,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.09,14.024,31.025,30]hentriaconta-2(18),3,6(15),7,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.017,22.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16(31),17,19,21,23,25,27,29-tetradecaene has a molecular weight of 5288.55 g/mol, XLogP of 97.11, 26 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.017,22.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16(31),17,19,21,23,25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.018,23.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16,18,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.020,31.021,30.022,27]hentriaconta-2(14),3,6,8,10,12,16,18,20(31),21(30),22,24,26,28-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.07,12.024,31.025,30]hentriaconta-2(18),3,6(15),7,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.08,13.024,31.025,30]hentriaconta-2(18),3,6,8,10,12,14,16,20,22,24(31),25,27,29-tetradecaene;5-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-1,5-diazaoctacyclo[18.10.1.02,18.04,16.06,15.09,14.024,31.025,30]hentriaconta-2(18),3,6(15),7,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.017,22.024,31.025,30]hentriaconta-2(14),3,6,8,10,12,16(31),17,19,21,23,25,27,29-tetradecaene is sourced from PubChem (CID 158640328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).