23-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;9,9-dimethyl-N-phenyl-N-[4-[4-(5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]phenyl]fluoren-2-amine;N,N-diphenyl-4-[4-(5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]aniline;23-(4,6-diphenylpyrimidin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(4-phenylquinazolin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(3-phenylquinoxalin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene

C433H266N36 — CID 158881228

IUPAC23-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;9,9-dimethyl-N-phenyl-N-[4-[4-(5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]phenyl]fluoren-2-amine;N,N-diphenyl-4-[4-(5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]aniline;23-(4,6-diphenylpyrimidin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(4-phenylquinazolin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(3-phenylquinoxalin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-n5c6cc(-c7ccccn7)cc7c6c6c8c(cccc8ccc65)-c5ccccc5-7)cc4)cc3)cc21.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4cc(-c5ccccn5)cc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)n2)cc1.c1ccc(-c2cc3c4c5c6c(cccc6ccc5n(-c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)c4c2)-c2ccccc2-3)nc1.c1ccc(-c2nc(-c3ccc(-n4c5cc(-c6ccccn6)cc6c5c5c7c(cccc7ccc54)-c4ccccc4-6)cc3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cc(-c6ccccn6)cc6c5c5c7c(cccc7ccc54)-c4ccccc4-6)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc(-c5ccccn5)cc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)n2)cc1.c1ccc(-c2nc(-n3c4cc(-c5ccccn5)cc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)nc3ccccc23)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3cc(-c4ccccn4)cc4c3c3c5c(cccc5ccc32)-c2ccccc2-4)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-n4c5cc(-c6ccccn6)cc6c5c5c7c(cccc7ccc54)-c4ccccc4-6)cc3)cc2)cc1
InChIInChI=1S/C60H41N3.2C52H31N5.C51H31N3.C51H33N3.C43H26N4.C42H25N5.2C41H24N4/c1-60(2)52-20-9-8-18-48(52)49-32-31-45(37-53(49)60)62(42-14-4-3-5-15-42)43-27-22-38(23-28-43)39-24-29-44(30-25-39)63-55-33-26-40-13-12-19-50-46-16-6-7-17-47(46)51-35-41(54-21-10-11-34-61-54)36-56(63)58(51)59(55)57(40)50;1-3-14-33(15-4-1)50-54-51(34-16-5-2-6-17-34)56-52(55-50)41-26-28-44(39-22-10-9-21-38(39)41)57-45-27-25-32-18-13-23-40-36-19-7-8-20-37(36)42-30-35(43-24-11-12-29-53-43)31-46(57)48(42)49(45)47(32)40;1-2-12-34(13-3-1)50-54-51(56-52(55-50)37-21-20-32-11-4-5-14-36(32)29-37)35-22-25-39(26-23-35)57-45-27-24-33-15-10-18-42-40-16-6-7-17-41(40)43-30-38(44-19-8-9-28-53-44)31-46(57)48(43)49(45)47(33)42;1-2-12-39-38(11-1)42-15-9-10-34-23-28-47-51(49(34)42)50-43(39)30-35(44-16-7-8-29-52-44)31-48(50)54(47)37-26-21-33(22-27-37)32-19-24-36(25-20-32)53-45-17-5-3-13-40(45)41-14-4-6-18-46(41)53;1-3-13-38(14-4-1)53(39-15-5-2-6-16-39)40-26-21-34(22-27-40)35-23-28-41(29-24-35)54-47-30-25-36-12-11-19-44-42-17-7-8-18-43(42)45-32-37(46-20-9-10-31-52-46)33-48(54)50(45)51(47)49(36)44;1-3-12-27(13-4-1)36-26-37(28-14-5-2-6-15-28)46-43(45-36)47-38-22-21-29-16-11-19-33-31-17-7-8-18-32(31)34-24-30(35-20-9-10-23-44-35)25-39(47)41(34)42(38)40(29)33;1-3-12-27(13-4-1)40-44-41(28-14-5-2-6-15-28)46-42(45-40)47-35-22-21-26-16-11-19-32-30-17-7-8-18-31(30)33-24-29(34-20-9-10-23-43-34)25-36(47)38(33)39(35)37(26)32;1-2-11-26(12-3-1)40-41(44-34-19-7-6-18-33(34)43-40)45-35-21-20-25-13-10-16-30-28-14-4-5-15-29(28)31-23-27(32-17-8-9-22-42-32)24-36(45)38(31)39(35)37(25)30;1-2-11-26(12-3-1)40-31-16-6-7-19-34(31)43-41(44-40)45-35-21-20-25-13-10-17-30-28-14-4-5-15-29(28)32-23-27(33-18-8-9-22-42-33)24-36(45)38(32)39(35)37(25)30/h3-37H,1-2H3;2*1-31H;1-31H;1-33H;1-26H;1-25H;2*1-24H
InChIKeyJDAXTYNEEVUUEL-UHFFFAOYSA-N
MW5973.14 g/mol
LogP110.70
Rot. Bonds40

About 23-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;9,9-dimethyl-N-phenyl-N-[4-[4-(5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]phenyl]fluoren-2-amine;N,N-diphenyl-4-[4-(5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]aniline;23-(4,6-diphenylpyrimidin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(4-phenylquinazolin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(3-phenylquinoxalin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene

23-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;9,9-dimethyl-N-phenyl-N-[4-[4-(5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]phenyl]fluoren-2-amine;N,N-diphenyl-4-[4-(5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]aniline;23-(4,6-diphenylpyrimidin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(4-phenylquinazolin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(3-phenylquinoxalin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene (PubChem CID 158881228) has the molecular formula C433H266N36 and a molecular weight of 5973.14 g/mol. Its IUPAC name is 23-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;9,9-dimethyl-N-phenyl-N-[4-[4-(5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]phenyl]fluoren-2-amine;N,N-diphenyl-4-[4-(5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]aniline;23-(4,6-diphenylpyrimidin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(4-phenylquinazolin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(3-phenylquinoxalin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene.

Molecular Properties

Compound Name23-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;9,9-dimethyl-N-phenyl-N-[4-[4-(5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]phenyl]fluoren-2-amine;N,N-diphenyl-4-[4-(5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]aniline;23-(4,6-diphenylpyrimidin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(4-phenylquinazolin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(3-phenylquinoxalin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
PubChem CID158881228
Molecular FormulaC433H266N36
Molecular Weight5973.14 g/mol
Exact Mass5968.19
IUPAC Name23-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;9,9-dimethyl-N-phenyl-N-[4-[4-(5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]phenyl]fluoren-2-amine;N,N-diphenyl-4-[4-(5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]aniline;23-(4,6-diphenylpyrimidin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(4-phenylquinazolin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(3-phenylquinoxalin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-n5c6cc(-c7ccccn7)cc7c6c6c8c(cccc8ccc65)-c5ccccc5-7)cc4)cc3)cc21.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4cc(-c5ccccn5)cc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)n2)cc1.c1ccc(-c2cc3c4c5c6c(cccc6ccc5n(-c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)c4c2)-c2ccccc2-3)nc1.c1ccc(-c2nc(-c3ccc(-n4c5cc(-c6ccccn6)cc6c5c5c7c(cccc7ccc54)-c4ccccc4-6)cc3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cc(-c6ccccn6)cc6c5c5c7c(cccc7ccc54)-c4ccccc4-6)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc(-c5ccccn5)cc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)n2)cc1.c1ccc(-c2nc(-n3c4cc(-c5ccccn5)cc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)nc3ccccc23)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3cc(-c4ccccn4)cc4c3c3c5c(cccc5ccc32)-c2ccccc2-4)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-n4c5cc(-c6ccccn6)cc6c5c5c7c(cccc7ccc54)-c4ccccc4-6)cc3)cc2)cc1
InChIInChI=1S/C60H41N3.2C52H31N5.C51H31N3.C51H33N3.C43H26N4.C42H25N5.2C41H24N4/c1-60(2)52-20-9-8-18-48(52)49-32-31-45(37-53(49)60)62(42-14-4-3-5-15-42)43-27-22-38(23-28-43)39-24-29-44(30-25-39)63-55-33-26-40-13-12-19-50-46-16-6-7-17-47(46)51-35-41(54-21-10-11-34-61-54)36-56(63)58(51)59(55)57(40)50;1-3-14-33(15-4-1)50-54-51(34-16-5-2-6-17-34)56-52(55-50)41-26-28-44(39-22-10-9-21-38(39)41)57-45-27-25-32-18-13-23-40-36-19-7-8-20-37(36)42-30-35(43-24-11-12-29-53-43)31-46(57)48(42)49(45)47(32)40;1-2-12-34(13-3-1)50-54-51(56-52(55-50)37-21-20-32-11-4-5-14-36(32)29-37)35-22-25-39(26-23-35)57-45-27-24-33-15-10-18-42-40-16-6-7-17-41(40)43-30-38(44-19-8-9-28-53-44)31-46(57)48(43)49(45)47(33)42;1-2-12-39-38(11-1)42-15-9-10-34-23-28-47-51(49(34)42)50-43(39)30-35(44-16-7-8-29-52-44)31-48(50)54(47)37-26-21-33(22-27-37)32-19-24-36(25-20-32)53-45-17-5-3-13-40(45)41-14-4-6-18-46(41)53;1-3-13-38(14-4-1)53(39-15-5-2-6-16-39)40-26-21-34(22-27-40)35-23-28-41(29-24-35)54-47-30-25-36-12-11-19-44-42-17-7-8-18-43(42)45-32-37(46-20-9-10-31-52-46)33-48(54)50(45)51(47)49(36)44;1-3-12-27(13-4-1)36-26-37(28-14-5-2-6-15-28)46-43(45-36)47-38-22-21-29-16-11-19-33-31-17-7-8-18-32(31)34-24-30(35-20-9-10-23-44-35)25-39(47)41(34)42(38)40(29)33;1-3-12-27(13-4-1)40-44-41(28-14-5-2-6-15-28)46-42(45-40)47-35-22-21-26-16-11-19-32-30-17-7-8-18-31(30)33-24-29(34-20-9-10-23-43-34)25-36(47)38(33)39(35)37(26)32;1-2-11-26(12-3-1)40-41(44-34-19-7-6-18-33(34)43-40)45-35-21-20-25-13-10-16-30-28-14-4-5-15-29(28)31-23-27(32-17-8-9-22-42-32)24-36(45)38(31)39(35)37(25)30;1-2-11-26(12-3-1)40-31-16-6-7-19-34(31)43-41(44-40)45-35-21-20-25-13-10-17-30-28-14-4-5-15-29(28)32-23-27(33-18-8-9-22-42-33)24-36(45)38(32)39(35)37(25)30/h3-37H,1-2H3;2*1-31H;1-31H;1-33H;1-26H;1-25H;2*1-24H
InChIKeyJDAXTYNEEVUUEL-UHFFFAOYSA-N
XLogP110.70
TPSA365.14 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds40
Heavy Atoms469
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005973.14
LogP ≤ 5110.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 23-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;9,9-dimethyl-N-phenyl-N-[4-[4-(5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]phenyl]fluoren-2-amine;N,N-diphenyl-4-[4-(5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]aniline;23-(4,6-diphenylpyrimidin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(4-phenylquinazolin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(3-phenylquinoxalin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene with MolForge

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Related Compounds

7-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-N,N-diphenylaniline;N-phenyl-N-[4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 158366689
4-[4-(31-azaoctacyclo[15.12.1.12,28.03,8.09,30.010,15.018,23.024,29]hentriaconta-1,3,5,7,9(30),10,12,14,16,18,20,22,24(29),25,27-pentadecaen-31-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(31-azaoctacyclo[15.12.1.12,28.03,8.09,30.010,15.018,23.024,29]hentriaconta-1,3,5,7,9(30),10,12,14,16,18,20,22,24(29),25,27-pentadecaen-31-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;31-(3-phenylquinoxalin-2-yl)-31-azaoctacyclo[15.12.1.12,28.03,8.09,30.010,15.018,23.024,29]hentriaconta-1,3,5,7,9(30),10,12,14,16,18,20,22,24(29),25,27-pentadecaene
CID 161228463
4-[4-(23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(9,23-diazahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-23-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 161345718
9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 164807901
23-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 157051523
10-[2-[4-[4-(23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-23-[4-[4-[2-[23-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-10-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene
CID 159223475
N-[4-[9-[3-[4,6-di(quinolin-5-yl)-1,3,5-triazin-2-yl]phenyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 129294385
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-2-ylphenyl)fluoren-2-amine
CID 71248523
3-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;10-carbazol-9-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole;7-(4-naphthalen-2-ylpyrimidin-2-yl)-N,N-diphenylbenzo[c]carbazol-10-amine
CID 159459466
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
30-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-11-phenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene;30-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene
CID 158396637
9,9-dimethyl-N-[4-(11-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 177100908

Frequently Asked Questions

What is the IUPAC name of 23-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;9,9-dimethyl-N-phenyl-N-[4-[4-(5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]phenyl]fluoren-2-amine;N,N-diphenyl-4-[4-(5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]aniline;23-(4,6-diphenylpyrimidin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(4-phenylquinazolin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(3-phenylquinoxalin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene?
The IUPAC name of 23-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;9,9-dimethyl-N-phenyl-N-[4-[4-(5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]phenyl]fluoren-2-amine;N,N-diphenyl-4-[4-(5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]aniline;23-(4,6-diphenylpyrimidin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(4-phenylquinazolin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(3-phenylquinoxalin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene (CID 158881228) is 23-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;9,9-dimethyl-N-phenyl-N-[4-[4-(5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]phenyl]fluoren-2-amine;N,N-diphenyl-4-[4-(5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]aniline;23-(4,6-diphenylpyrimidin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(4-phenylquinazolin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(3-phenylquinoxalin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene.
What is the SMILES notation for 23-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;9,9-dimethyl-N-phenyl-N-[4-[4-(5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]phenyl]fluoren-2-amine;N,N-diphenyl-4-[4-(5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]aniline;23-(4,6-diphenylpyrimidin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(4-phenylquinazolin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(3-phenylquinoxalin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene?
The canonical SMILES for 23-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;9,9-dimethyl-N-phenyl-N-[4-[4-(5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]phenyl]fluoren-2-amine;N,N-diphenyl-4-[4-(5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]aniline;23-(4,6-diphenylpyrimidin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(4-phenylquinazolin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(3-phenylquinoxalin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-n5c6cc(-c7ccccn7)cc7c6c6c8c(cccc8ccc65)-c5ccccc5-7)cc4)cc3)cc21.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4cc(-c5ccccn5)cc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)n2)cc1.c1ccc(-c2cc3c4c5c6c(cccc6ccc5n(-c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)c4c2)-c2ccccc2-3)nc1.c1ccc(-c2nc(-c3ccc(-n4c5cc(-c6ccccn6)cc6c5c5c7c(cccc7ccc54)-c4ccccc4-6)cc3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cc(-c6ccccn6)cc6c5c5c7c(cccc7ccc54)-c4ccccc4-6)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc(-c5ccccn5)cc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)n2)cc1.c1ccc(-c2nc(-n3c4cc(-c5ccccn5)cc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)nc3ccccc23)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3cc(-c4ccccn4)cc4c3c3c5c(cccc5ccc32)-c2ccccc2-4)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-n4c5cc(-c6ccccn6)cc6c5c5c7c(cccc7ccc54)-c4ccccc4-6)cc3)cc2)cc1.
What is the InChIKey of 23-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;9,9-dimethyl-N-phenyl-N-[4-[4-(5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]phenyl]fluoren-2-amine;N,N-diphenyl-4-[4-(5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]aniline;23-(4,6-diphenylpyrimidin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(4-phenylquinazolin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(3-phenylquinoxalin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene?
The InChIKey is JDAXTYNEEVUUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3.2C52H31N5.C51H31N3.C51H33N3.C43H26N4.C42H25N5.2C41H24N4/c1-60(2)52-20-9-8-18-48(52)49-32-31-45(37-53(49)60)62(42-14-4-3-5-15-42)43-27-22-38(23-28-43)39-24-29-44(30-25-39)63-55-33-26-40-13-12-19-50-46-16-6-7-17-47(46)51-35-41(54-21-10-11-34-61-54)36-56(63)58(51)59(55)57(40)50;1-3-14-33(15-4-1)50-54-51(34-16-5-2-6-17-34)56-52(55-50)41-26-28-44(39-22-10-9-21-38(39)41)57-45-27-25-32-18-13-23-40-36-19-7-8-20-37(36)42-30-35(43-24-11-12-29-53-43)31-46(57)48(42)49(45)47(32)40;1-2-12-34(13-3-1)50-54-51(56-52(55-50)37-21-20-32-11-4-5-14-36(32)29-37)35-22-25-39(26-23-35)57-45-27-24-33-15-10-18-42-40-16-6-7-17-41(40)43-30-38(44-19-8-9-28-53-44)31-46(57)48(43)49(45)47(33)42;1-2-12-39-38(11-1)42-15-9-10-34-23-28-47-51(49(34)42)50-43(39)30-35(44-16-7-8-29-52-44)31-48(50)54(47)37-26-21-33(22-27-37)32-19-24-36(25-20-32)53-45-17-5-3-13-40(45)41-14-4-6-18-46(41)53;1-3-13-38(14-4-1)53(39-15-5-2-6-16-39)40-26-21-34(22-27-40)35-23-28-41(29-24-35)54-47-30-25-36-12-11-19-44-42-17-7-8-18-43(42)45-32-37(46-20-9-10-31-52-46)33-48(54)50(45)51(47)49(36)44;1-3-12-27(13-4-1)36-26-37(28-14-5-2-6-15-28)46-43(45-36)47-38-22-21-29-16-11-19-33-31-17-7-8-18-32(31)34-24-30(35-20-9-10-23-44-35)25-39(47)41(34)42(38)40(29)33;1-3-12-27(13-4-1)40-44-41(28-14-5-2-6-15-28)46-42(45-40)47-35-22-21-26-16-11-19-32-30-17-7-8-18-31(30)33-24-29(34-20-9-10-23-43-34)25-36(47)38(33)39(35)37(26)32;1-2-11-26(12-3-1)40-41(44-34-19-7-6-18-33(34)43-40)45-35-21-20-25-13-10-16-30-28-14-4-5-15-29(28)31-23-27(32-17-8-9-22-42-32)24-36(45)38(31)39(35)37(25)30;1-2-11-26(12-3-1)40-31-16-6-7-19-34(31)43-41(44-40)45-35-21-20-25-13-10-17-30-28-14-4-5-15-29(28)32-23-27(33-18-8-9-22-42-33)24-36(45)38(32)39(35)37(25)30/h3-37H,1-2H3;2*1-31H;1-31H;1-33H;1-26H;1-25H;2*1-24H.
What are the key properties of 23-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;9,9-dimethyl-N-phenyl-N-[4-[4-(5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]phenyl]fluoren-2-amine;N,N-diphenyl-4-[4-(5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]aniline;23-(4,6-diphenylpyrimidin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(4-phenylquinazolin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(3-phenylquinoxalin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene?
23-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;9,9-dimethyl-N-phenyl-N-[4-[4-(5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]phenyl]fluoren-2-amine;N,N-diphenyl-4-[4-(5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]aniline;23-(4,6-diphenylpyrimidin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(4-phenylquinazolin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(3-phenylquinoxalin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene has a molecular weight of 5973.14 g/mol, XLogP of 110.70, 40 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 23-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;9,9-dimethyl-N-phenyl-N-[4-[4-(5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]phenyl]fluoren-2-amine;N,N-diphenyl-4-[4-(5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]aniline;23-(4,6-diphenylpyrimidin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(4-phenylquinazolin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(3-phenylquinoxalin-2-yl)-5-pyridin-2-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene is sourced from PubChem (CID 158881228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).