3-anthracen-9-yl-9-(9,9-dimethyl-5-naphthalen-1-yl-20-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaenyl)carbazole;9-(9,9-dimethyl-13-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)-3-[6-(3-pyridin-3-ylphenyl)dibenzofuran-2-yl]carbazole;3-(9,9-dimethyl-7-phenylfluoren-2-yl)-9-(3,3-diphenyl-3-silahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaen-14-yl)carbazole;3-[9-(9,9-dimethyl-9-silahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-13-yl)carbazol-3-yl]-10-phenylphenoxazine;14-[3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazol-9-yl]-3-(3-pyridin-3-ylphenyl)-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene;10-phenyl-3-[9-(20-phenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaen-6-yl)carbazol-3-yl]-7-pyridin-3-ylphenothiazine

C374H239N13O2SSi3 — CID 157118911

IUPAC3-anthracen-9-yl-9-(9,9-dimethyl-5-naphthalen-1-yl-20-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaenyl)carbazole;9-(9,9-dimethyl-13-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)-3-[6-(3-pyridin-3-ylphenyl)dibenzofuran-2-yl]carbazole;3-(9,9-dimethyl-7-phenylfluoren-2-yl)-9-(3,3-diphenyl-3-silahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaen-14-yl)carbazole;3-[9-(9,9-dimethyl-9-silahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-13-yl)carbazol-3-yl]-10-phenylphenoxazine;14-[3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazol-9-yl]-3-(3-pyridin-3-ylphenyl)-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene;10-phenyl-3-[9-(20-phenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaen-6-yl)carbazol-3-yl]-7-pyridin-3-ylphenothiazine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cc4cc5c(c6ccc7cccc3c7c46)[Si](c3ccccc3)(c3ccccc3)c3ccccc3-5)cc21.CC1(C)c2ccc(-c3cccc4ccccc34)cc2-c2c1cc1ccc3cccc4c(-n5c6ccccc6c6cc(-c7c8ccccc8cc8ccccc78)ccc65)cc2c1c34.CC1(C)c2ccccc2-c2c1cc1c(-n3c4ccccc4c4cc(-c5ccc6oc7c(-c8cccc(-c9cccnc9)c8)cccc7c6c5)ccc43)cc3cccc4ccc2c1c43.C[Si]1(C)c2ccccc2-c2c1cc1c(-n3c4ccccc4c4cc(-c5ccc6c(c5)Oc5ccccc5N6c5ccccc5)ccc43)cc3cccc4ccc2c1c43.c1ccc(N2c3ccc(-c4cccnc4)cc3Sc3cc(-c4ccc5c(c4)c4ccccc4n5-c4cc5cccc6c5c5c4cccc5c4c6c5ccccc5n4-c4ccccc4)ccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc5cc6c7ccccc7n(-c7cccc(-c8cccnc8)c7)c6c6ccc7cccc4c7c56)cc32)cc1
InChIInChI=1S/C69H43N3Si.C67H45NSi.C63H38N4S.C61H39N.C60H38N2O.C54H36N2OSi/c1-3-20-51(21-4-1)73(52-22-5-2-6-23-52)65-30-12-9-26-55(65)56-34-32-47(42-66(56)73)46-33-36-63-59(39-46)53-24-7-11-29-62(53)72(63)64-41-49-40-60-54-25-8-10-28-61(54)71(50-19-13-17-45(38-50)48-18-15-37-70-43-48)69(60)58-35-31-44-16-14-27-57(64)67(44)68(49)58;1-67(2)58-39-45(42-17-6-3-7-18-42)30-33-50(58)51-34-31-46(40-59(51)67)44-32-36-61-56(37-44)52-24-12-14-27-60(52)68(61)62-41-47-38-57-53-25-13-15-28-63(53)69(48-20-8-4-9-21-48,49-22-10-5-11-23-49)66(57)55-35-29-43-19-16-26-54(62)64(43)65(47)55;1-3-16-44(17-4-1)65-55-31-28-40(36-58(55)68-59-37-41(29-32-56(59)65)43-15-13-33-64-38-43)39-27-30-54-51(34-39)46-20-7-9-25-52(46)67(54)57-35-42-14-11-23-49-60(42)61-48(57)22-12-24-50(61)63-62(49)47-21-8-10-26-53(47)66(63)45-18-5-2-6-19-45;1-61(2)52-29-27-40(44-22-11-16-36-13-3-6-18-43(36)44)32-50(52)60-51-35-56(48-23-12-17-37-25-26-42(34-53(60)61)59(51)58(37)48)62-54-24-10-9-21-47(54)49-33-41(28-30-55(49)62)57-45-19-7-4-14-38(45)31-39-15-5-8-20-46(39)57;1-60(2)50-20-5-3-17-45(50)57-46-25-22-35-11-7-14-40-32-54(49(33-51(57)60)58(46)56(35)40)62-52-21-6-4-16-43(52)47-30-37(23-26-53(47)62)38-24-27-55-48(31-38)44-19-9-18-42(59(44)63-55)39-13-8-12-36(29-39)41-15-10-28-61-34-41;1-58(2)50-22-11-7-18-39(50)53-40-26-23-33-13-12-14-36-30-47(42(32-51(53)58)54(40)52(33)36)56-43-19-8-6-17-38(43)41-29-34(24-27-44(41)56)35-25-28-46-49(31-35)57-48-21-10-9-20-45(48)55(46)37-15-4-3-5-16-37/h1-43H;3-41H,1-2H3;1-38H;3-35H,1-2H3;3-34H,1-2H3;3-32H,1-2H3
InChIKeyAHSPCFOOGHXKMX-UHFFFAOYSA-N
MW5063.44 g/mol
LogP93.78
Rot. Bonds26

About 3-anthracen-9-yl-9-(9,9-dimethyl-5-naphthalen-1-yl-20-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaenyl)carbazole;9-(9,9-dimethyl-13-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)-3-[6-(3-pyridin-3-ylphenyl)dibenzofuran-2-yl]carbazole;3-(9,9-dimethyl-7-phenylfluoren-2-yl)-9-(3,3-diphenyl-3-silahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaen-14-yl)carbazole;3-[9-(9,9-dimethyl-9-silahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-13-yl)carbazol-3-yl]-10-phenylphenoxazine;14-[3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazol-9-yl]-3-(3-pyridin-3-ylphenyl)-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene;10-phenyl-3-[9-(20-phenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaen-6-yl)carbazol-3-yl]-7-pyridin-3-ylphenothiazine

3-anthracen-9-yl-9-(9,9-dimethyl-5-naphthalen-1-yl-20-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaenyl)carbazole;9-(9,9-dimethyl-13-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)-3-[6-(3-pyridin-3-ylphenyl)dibenzofuran-2-yl]carbazole;3-(9,9-dimethyl-7-phenylfluoren-2-yl)-9-(3,3-diphenyl-3-silahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaen-14-yl)carbazole;3-[9-(9,9-dimethyl-9-silahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-13-yl)carbazol-3-yl]-10-phenylphenoxazine;14-[3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazol-9-yl]-3-(3-pyridin-3-ylphenyl)-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene;10-phenyl-3-[9-(20-phenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaen-6-yl)carbazol-3-yl]-7-pyridin-3-ylphenothiazine (PubChem CID 157118911) has the molecular formula C374H239N13O2SSi3 and a molecular weight of 5063.44 g/mol. Its IUPAC name is 3-anthracen-9-yl-9-(9,9-dimethyl-5-naphthalen-1-yl-20-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaenyl)carbazole;9-(9,9-dimethyl-13-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)-3-[6-(3-pyridin-3-ylphenyl)dibenzofuran-2-yl]carbazole;3-(9,9-dimethyl-7-phenylfluoren-2-yl)-9-(3,3-diphenyl-3-silahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaen-14-yl)carbazole;3-[9-(9,9-dimethyl-9-silahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-13-yl)carbazol-3-yl]-10-phenylphenoxazine;14-[3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazol-9-yl]-3-(3-pyridin-3-ylphenyl)-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene;10-phenyl-3-[9-(20-phenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaen-6-yl)carbazol-3-yl]-7-pyridin-3-ylphenothiazine.

Molecular Properties

Compound Name3-anthracen-9-yl-9-(9,9-dimethyl-5-naphthalen-1-yl-20-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaenyl)carbazole;9-(9,9-dimethyl-13-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)-3-[6-(3-pyridin-3-ylphenyl)dibenzofuran-2-yl]carbazole;3-(9,9-dimethyl-7-phenylfluoren-2-yl)-9-(3,3-diphenyl-3-silahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaen-14-yl)carbazole;3-[9-(9,9-dimethyl-9-silahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-13-yl)carbazol-3-yl]-10-phenylphenoxazine;14-[3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazol-9-yl]-3-(3-pyridin-3-ylphenyl)-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene;10-phenyl-3-[9-(20-phenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaen-6-yl)carbazol-3-yl]-7-pyridin-3-ylphenothiazine
PubChem CID157118911
Molecular FormulaC374H239N13O2SSi3
Molecular Weight5063.44 g/mol
Exact Mass5058.80
IUPAC Name3-anthracen-9-yl-9-(9,9-dimethyl-5-naphthalen-1-yl-20-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaenyl)carbazole;9-(9,9-dimethyl-13-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)-3-[6-(3-pyridin-3-ylphenyl)dibenzofuran-2-yl]carbazole;3-(9,9-dimethyl-7-phenylfluoren-2-yl)-9-(3,3-diphenyl-3-silahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaen-14-yl)carbazole;3-[9-(9,9-dimethyl-9-silahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-13-yl)carbazol-3-yl]-10-phenylphenoxazine;14-[3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazol-9-yl]-3-(3-pyridin-3-ylphenyl)-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene;10-phenyl-3-[9-(20-phenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaen-6-yl)carbazol-3-yl]-7-pyridin-3-ylphenothiazine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cc4cc5c(c6ccc7cccc3c7c46)[Si](c3ccccc3)(c3ccccc3)c3ccccc3-5)cc21.CC1(C)c2ccc(-c3cccc4ccccc34)cc2-c2c1cc1ccc3cccc4c(-n5c6ccccc6c6cc(-c7c8ccccc8cc8ccccc78)ccc65)cc2c1c34.CC1(C)c2ccccc2-c2c1cc1c(-n3c4ccccc4c4cc(-c5ccc6oc7c(-c8cccc(-c9cccnc9)c8)cccc7c6c5)ccc43)cc3cccc4ccc2c1c43.C[Si]1(C)c2ccccc2-c2c1cc1c(-n3c4ccccc4c4cc(-c5ccc6c(c5)Oc5ccccc5N6c5ccccc5)ccc43)cc3cccc4ccc2c1c43.c1ccc(N2c3ccc(-c4cccnc4)cc3Sc3cc(-c4ccc5c(c4)c4ccccc4n5-c4cc5cccc6c5c5c4cccc5c4c6c5ccccc5n4-c4ccccc4)ccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc5cc6c7ccccc7n(-c7cccc(-c8cccnc8)c7)c6c6ccc7cccc4c7c56)cc32)cc1
InChIInChI=1S/C69H43N3Si.C67H45NSi.C63H38N4S.C61H39N.C60H38N2O.C54H36N2OSi/c1-3-20-51(21-4-1)73(52-22-5-2-6-23-52)65-30-12-9-26-55(65)56-34-32-47(42-66(56)73)46-33-36-63-59(39-46)53-24-7-11-29-62(53)72(63)64-41-49-40-60-54-25-8-10-28-61(54)71(50-19-13-17-45(38-50)48-18-15-37-70-43-48)69(60)58-35-31-44-16-14-27-57(64)67(44)68(49)58;1-67(2)58-39-45(42-17-6-3-7-18-42)30-33-50(58)51-34-31-46(40-59(51)67)44-32-36-61-56(37-44)52-24-12-14-27-60(52)68(61)62-41-47-38-57-53-25-13-15-28-63(53)69(48-20-8-4-9-21-48,49-22-10-5-11-23-49)66(57)55-35-29-43-19-16-26-54(62)64(43)65(47)55;1-3-16-44(17-4-1)65-55-31-28-40(36-58(55)68-59-37-41(29-32-56(59)65)43-15-13-33-64-38-43)39-27-30-54-51(34-39)46-20-7-9-25-52(46)67(54)57-35-42-14-11-23-49-60(42)61-48(57)22-12-24-50(61)63-62(49)47-21-8-10-26-53(47)66(63)45-18-5-2-6-19-45;1-61(2)52-29-27-40(44-22-11-16-36-13-3-6-18-43(36)44)32-50(52)60-51-35-56(48-23-12-17-37-25-26-42(34-53(60)61)59(51)58(37)48)62-54-24-10-9-21-47(54)49-33-41(28-30-55(49)62)57-45-19-7-4-14-38(45)31-39-15-5-8-20-46(39)57;1-60(2)50-20-5-3-17-45(50)57-46-25-22-35-11-7-14-40-32-54(49(33-51(57)60)58(46)56(35)40)62-52-21-6-4-16-43(52)47-30-37(23-26-53(47)62)38-24-27-55-48(31-38)44-19-9-18-42(59(44)63-55)39-13-8-12-36(29-39)41-15-10-28-61-34-41;1-58(2)50-22-11-7-18-39(50)53-40-26-23-33-13-12-14-36-30-47(42(32-51(53)58)54(40)52(33)36)56-43-19-8-6-17-38(43)41-29-34(24-27-44(41)56)35-25-28-46-49(31-35)57-48-21-10-9-20-45(48)55(46)37-15-4-3-5-16-37/h1-43H;3-41H,1-2H3;1-38H;3-35H,1-2H3;3-34H,1-2H3;3-32H,1-2H3
InChIKeyAHSPCFOOGHXKMX-UHFFFAOYSA-N
XLogP93.78
TPSA106.96 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds26
Heavy Atoms393
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005063.44
LogP ≤ 593.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 3-anthracen-9-yl-9-(9,9-dimethyl-5-naphthalen-1-yl-20-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaenyl)carbazole;9-(9,9-dimethyl-13-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)-3-[6-(3-pyridin-3-ylphenyl)dibenzofuran-2-yl]carbazole;3-(9,9-dimethyl-7-phenylfluoren-2-yl)-9-(3,3-diphenyl-3-silahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaen-14-yl)carbazole;3-[9-(9,9-dimethyl-9-silahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-13-yl)carbazol-3-yl]-10-phenylphenoxazine;14-[3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazol-9-yl]-3-(3-pyridin-3-ylphenyl)-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene;10-phenyl-3-[9-(20-phenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaen-6-yl)carbazol-3-yl]-7-pyridin-3-ylphenothiazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-anthracen-9-yl-9-(9,9-dimethyl-5-naphthalen-1-yl-20-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaenyl)carbazole;9-(9,9-dimethyl-13-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)-3-[6-(3-pyridin-3-ylphenyl)dibenzofuran-2-yl]carbazole;3-(9,9-dimethyl-7-phenylfluoren-2-yl)-9-(3,3-diphenyl-3-silahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaen-14-yl)carbazole;3-[9-(9,9-dimethyl-9-silahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-13-yl)carbazol-3-yl]-10-phenylphenoxazine;14-[3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazol-9-yl]-3-(3-pyridin-3-ylphenyl)-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene;10-phenyl-3-[9-(20-phenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaen-6-yl)carbazol-3-yl]-7-pyridin-3-ylphenothiazine?
The IUPAC name of 3-anthracen-9-yl-9-(9,9-dimethyl-5-naphthalen-1-yl-20-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaenyl)carbazole;9-(9,9-dimethyl-13-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)-3-[6-(3-pyridin-3-ylphenyl)dibenzofuran-2-yl]carbazole;3-(9,9-dimethyl-7-phenylfluoren-2-yl)-9-(3,3-diphenyl-3-silahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaen-14-yl)carbazole;3-[9-(9,9-dimethyl-9-silahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-13-yl)carbazol-3-yl]-10-phenylphenoxazine;14-[3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazol-9-yl]-3-(3-pyridin-3-ylphenyl)-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene;10-phenyl-3-[9-(20-phenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaen-6-yl)carbazol-3-yl]-7-pyridin-3-ylphenothiazine (CID 157118911) is 3-anthracen-9-yl-9-(9,9-dimethyl-5-naphthalen-1-yl-20-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaenyl)carbazole;9-(9,9-dimethyl-13-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)-3-[6-(3-pyridin-3-ylphenyl)dibenzofuran-2-yl]carbazole;3-(9,9-dimethyl-7-phenylfluoren-2-yl)-9-(3,3-diphenyl-3-silahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaen-14-yl)carbazole;3-[9-(9,9-dimethyl-9-silahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-13-yl)carbazol-3-yl]-10-phenylphenoxazine;14-[3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazol-9-yl]-3-(3-pyridin-3-ylphenyl)-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene;10-phenyl-3-[9-(20-phenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaen-6-yl)carbazol-3-yl]-7-pyridin-3-ylphenothiazine.
What is the SMILES notation for 3-anthracen-9-yl-9-(9,9-dimethyl-5-naphthalen-1-yl-20-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaenyl)carbazole;9-(9,9-dimethyl-13-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)-3-[6-(3-pyridin-3-ylphenyl)dibenzofuran-2-yl]carbazole;3-(9,9-dimethyl-7-phenylfluoren-2-yl)-9-(3,3-diphenyl-3-silahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaen-14-yl)carbazole;3-[9-(9,9-dimethyl-9-silahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-13-yl)carbazol-3-yl]-10-phenylphenoxazine;14-[3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazol-9-yl]-3-(3-pyridin-3-ylphenyl)-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene;10-phenyl-3-[9-(20-phenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaen-6-yl)carbazol-3-yl]-7-pyridin-3-ylphenothiazine?
The canonical SMILES for 3-anthracen-9-yl-9-(9,9-dimethyl-5-naphthalen-1-yl-20-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaenyl)carbazole;9-(9,9-dimethyl-13-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)-3-[6-(3-pyridin-3-ylphenyl)dibenzofuran-2-yl]carbazole;3-(9,9-dimethyl-7-phenylfluoren-2-yl)-9-(3,3-diphenyl-3-silahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaen-14-yl)carbazole;3-[9-(9,9-dimethyl-9-silahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-13-yl)carbazol-3-yl]-10-phenylphenoxazine;14-[3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazol-9-yl]-3-(3-pyridin-3-ylphenyl)-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene;10-phenyl-3-[9-(20-phenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaen-6-yl)carbazol-3-yl]-7-pyridin-3-ylphenothiazine is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cc4cc5c(c6ccc7cccc3c7c46)[Si](c3ccccc3)(c3ccccc3)c3ccccc3-5)cc21.CC1(C)c2ccc(-c3cccc4ccccc34)cc2-c2c1cc1ccc3cccc4c(-n5c6ccccc6c6cc(-c7c8ccccc8cc8ccccc78)ccc65)cc2c1c34.CC1(C)c2ccccc2-c2c1cc1c(-n3c4ccccc4c4cc(-c5ccc6oc7c(-c8cccc(-c9cccnc9)c8)cccc7c6c5)ccc43)cc3cccc4ccc2c1c43.C[Si]1(C)c2ccccc2-c2c1cc1c(-n3c4ccccc4c4cc(-c5ccc6c(c5)Oc5ccccc5N6c5ccccc5)ccc43)cc3cccc4ccc2c1c43.c1ccc(N2c3ccc(-c4cccnc4)cc3Sc3cc(-c4ccc5c(c4)c4ccccc4n5-c4cc5cccc6c5c5c4cccc5c4c6c5ccccc5n4-c4ccccc4)ccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc5cc6c7ccccc7n(-c7cccc(-c8cccnc8)c7)c6c6ccc7cccc4c7c56)cc32)cc1.
What is the InChIKey of 3-anthracen-9-yl-9-(9,9-dimethyl-5-naphthalen-1-yl-20-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaenyl)carbazole;9-(9,9-dimethyl-13-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)-3-[6-(3-pyridin-3-ylphenyl)dibenzofuran-2-yl]carbazole;3-(9,9-dimethyl-7-phenylfluoren-2-yl)-9-(3,3-diphenyl-3-silahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaen-14-yl)carbazole;3-[9-(9,9-dimethyl-9-silahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-13-yl)carbazol-3-yl]-10-phenylphenoxazine;14-[3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazol-9-yl]-3-(3-pyridin-3-ylphenyl)-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene;10-phenyl-3-[9-(20-phenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaen-6-yl)carbazol-3-yl]-7-pyridin-3-ylphenothiazine?
The InChIKey is AHSPCFOOGHXKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43N3Si.C67H45NSi.C63H38N4S.C61H39N.C60H38N2O.C54H36N2OSi/c1-3-20-51(21-4-1)73(52-22-5-2-6-23-52)65-30-12-9-26-55(65)56-34-32-47(42-66(56)73)46-33-36-63-59(39-46)53-24-7-11-29-62(53)72(63)64-41-49-40-60-54-25-8-10-28-61(54)71(50-19-13-17-45(38-50)48-18-15-37-70-43-48)69(60)58-35-31-44-16-14-27-57(64)67(44)68(49)58;1-67(2)58-39-45(42-17-6-3-7-18-42)30-33-50(58)51-34-31-46(40-59(51)67)44-32-36-61-56(37-44)52-24-12-14-27-60(52)68(61)62-41-47-38-57-53-25-13-15-28-63(53)69(48-20-8-4-9-21-48,49-22-10-5-11-23-49)66(57)55-35-29-43-19-16-26-54(62)64(43)65(47)55;1-3-16-44(17-4-1)65-55-31-28-40(36-58(55)68-59-37-41(29-32-56(59)65)43-15-13-33-64-38-43)39-27-30-54-51(34-39)46-20-7-9-25-52(46)67(54)57-35-42-14-11-23-49-60(42)61-48(57)22-12-24-50(61)63-62(49)47-21-8-10-26-53(47)66(63)45-18-5-2-6-19-45;1-61(2)52-29-27-40(44-22-11-16-36-13-3-6-18-43(36)44)32-50(52)60-51-35-56(48-23-12-17-37-25-26-42(34-53(60)61)59(51)58(37)48)62-54-24-10-9-21-47(54)49-33-41(28-30-55(49)62)57-45-19-7-4-14-38(45)31-39-15-5-8-20-46(39)57;1-60(2)50-20-5-3-17-45(50)57-46-25-22-35-11-7-14-40-32-54(49(33-51(57)60)58(46)56(35)40)62-52-21-6-4-16-43(52)47-30-37(23-26-53(47)62)38-24-27-55-48(31-38)44-19-9-18-42(59(44)63-55)39-13-8-12-36(29-39)41-15-10-28-61-34-41;1-58(2)50-22-11-7-18-39(50)53-40-26-23-33-13-12-14-36-30-47(42(32-51(53)58)54(40)52(33)36)56-43-19-8-6-17-38(43)41-29-34(24-27-44(41)56)35-25-28-46-49(31-35)57-48-21-10-9-20-45(48)55(46)37-15-4-3-5-16-37/h1-43H;3-41H,1-2H3;1-38H;3-35H,1-2H3;3-34H,1-2H3;3-32H,1-2H3.
What are the key properties of 3-anthracen-9-yl-9-(9,9-dimethyl-5-naphthalen-1-yl-20-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaenyl)carbazole;9-(9,9-dimethyl-13-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)-3-[6-(3-pyridin-3-ylphenyl)dibenzofuran-2-yl]carbazole;3-(9,9-dimethyl-7-phenylfluoren-2-yl)-9-(3,3-diphenyl-3-silahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaen-14-yl)carbazole;3-[9-(9,9-dimethyl-9-silahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-13-yl)carbazol-3-yl]-10-phenylphenoxazine;14-[3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazol-9-yl]-3-(3-pyridin-3-ylphenyl)-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene;10-phenyl-3-[9-(20-phenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaen-6-yl)carbazol-3-yl]-7-pyridin-3-ylphenothiazine?
3-anthracen-9-yl-9-(9,9-dimethyl-5-naphthalen-1-yl-20-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaenyl)carbazole;9-(9,9-dimethyl-13-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)-3-[6-(3-pyridin-3-ylphenyl)dibenzofuran-2-yl]carbazole;3-(9,9-dimethyl-7-phenylfluoren-2-yl)-9-(3,3-diphenyl-3-silahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaen-14-yl)carbazole;3-[9-(9,9-dimethyl-9-silahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-13-yl)carbazol-3-yl]-10-phenylphenoxazine;14-[3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazol-9-yl]-3-(3-pyridin-3-ylphenyl)-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene;10-phenyl-3-[9-(20-phenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaen-6-yl)carbazol-3-yl]-7-pyridin-3-ylphenothiazine has a molecular weight of 5063.44 g/mol, XLogP of 93.78, 26 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anthracen-9-yl-9-(9,9-dimethyl-5-naphthalen-1-yl-20-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaenyl)carbazole;9-(9,9-dimethyl-13-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)-3-[6-(3-pyridin-3-ylphenyl)dibenzofuran-2-yl]carbazole;3-(9,9-dimethyl-7-phenylfluoren-2-yl)-9-(3,3-diphenyl-3-silahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaen-14-yl)carbazole;3-[9-(9,9-dimethyl-9-silahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-13-yl)carbazol-3-yl]-10-phenylphenoxazine;14-[3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazol-9-yl]-3-(3-pyridin-3-ylphenyl)-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene;10-phenyl-3-[9-(20-phenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaen-6-yl)carbazol-3-yl]-7-pyridin-3-ylphenothiazine is sourced from PubChem (CID 157118911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).