20-(2,6-dimethyl-10-phenothiazin-10-ylanthracen-9-yl)-27-thia-16-selena-20-azaheptacyclo[15.12.0.02,15.03,8.09,14.019,28.021,26]nonacosa-1(29),2(15),3,5,7,9,11,13,17,19(28),21,23,25-tridecaene;14-[6-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-2-yl]-10,10-diphenyl-21,21-dipyridin-3-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[10-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-9-yl]-21,21-dipyridin-3-yl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-(6-phenothiazin-10-ylnaphthalen-2-yl)-25-pyridin-3-yl-11-thia-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene;12-(6-phenoxazin-10-ylanthracen-2-yl)-16-pyridin-4-yl-5-oxa-12,16-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene;4-(5-phenoxazin-10-ylnaphthalen-1-yl)-25-pyridin-3-yl-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene

C353H222N26O4S4Se2Si — CID 157337693

IUPAC20-(2,6-dimethyl-10-phenothiazin-10-ylanthracen-9-yl)-27-thia-16-selena-20-azaheptacyclo[15.12.0.02,15.03,8.09,14.019,28.021,26]nonacosa-1(29),2(15),3,5,7,9,11,13,17,19(28),21,23,25-tridecaene;14-[6-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-2-yl]-10,10-diphenyl-21,21-dipyridin-3-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[10-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-9-yl]-21,21-dipyridin-3-yl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-(6-phenothiazin-10-ylnaphthalen-2-yl)-25-pyridin-3-yl-11-thia-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene;12-(6-phenoxazin-10-ylanthracen-2-yl)-16-pyridin-4-yl-5-oxa-12,16-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene;4-(5-phenoxazin-10-ylnaphthalen-1-yl)-25-pyridin-3-yl-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene
SMILESCc1ccc2c(N3c4ccccc4Sc4cc5c(cc43)[se]c3c4ccccc4c4ccccc4c53)c3cc(C)ccc3c(N3c4ccccc4Sc4ccccc43)c2c1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3cc4c(cc32)N(c2ccc3cc5cc(N6c7ccccc7C(c7cccnc7)(c7cccnc7)c7ccccc76)ccc5cc3c2)c2ccccc2C4(c2cccnc2)c2cccnc2)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc2cc3cc(N4c5ccccc5Oc5cc6c7cc8cc9ccccc9cc8cc7n(-c7ccncc7)c6cc54)ccc3cc2c1.c1cncc(-n2c3cc4c(cc3c3c5ccccc5ccc32)Sc2ccccc2N4c2ccc3cc(N4c5ccccc5Sc5ccccc54)ccc3c2)c1.c1cncc(-n2c3cc4c(cc3c3cc5ccccc5cc32)Oc2ccccc2N4c2cccc3c(N4c5ccccc5Oc5ccccc54)cccc23)c1.c1cncc(C2(c3cccnc3)c3ccccc3N(c3c4ccccc4c(N4c5ccccc5C(c5cccnc5)(c5cccnc5)c5cc6c(cc54)[se]c4ccccc46)c4ccccc34)c3ccccc32)c1
InChIInChI=1S/C78H52N6Si.C66H42N6Se.C57H34N4O2.C54H34N2S2Se.C49H30N4O2.C49H30N4S2/c1-3-23-63(24-4-1)85(64-25-5-2-6-26-64)75-34-14-7-27-65(75)66-47-70-74(48-76(66)85)84(73-33-13-10-30-69(73)78(70,59-21-17-41-81-51-59)60-22-18-42-82-52-60)62-38-36-54-43-55-45-61(37-35-53(55)44-56(54)46-62)83-71-31-11-8-28-67(71)77(57-19-15-39-79-49-57,58-20-16-40-80-50-58)68-29-9-12-32-72(68)83;1-3-24-50-48(22-1)63(71-57-29-9-6-26-53(57)65(43-17-13-33-67-39-43,44-18-14-34-68-40-44)54-27-7-10-30-58(54)71)49-23-2-4-25-51(49)64(50)72-59-31-11-8-28-55(59)66(45-19-15-35-69-41-45,46-20-16-36-70-42-46)56-37-52-47-21-5-12-32-61(47)73-62(52)38-60(56)72;1-2-10-36-26-42-32-51-46(31-41(42)25-35(36)9-1)47-33-57-53(34-52(47)59(51)43-21-23-58-24-22-43)61(50-13-5-8-16-56(50)63-57)45-20-18-38-27-39-29-44(19-17-37(39)28-40(38)30-45)60-48-11-3-6-14-54(48)62-55-15-7-4-12-49(55)60;1-31-24-26-37-39(27-31)52(55-42-17-7-10-20-46(42)57-47-21-11-8-18-43(47)55)36-25-23-32(2)28-40(36)53(37)56-44-19-9-12-22-48(44)58-49-29-41-50(30-45(49)56)59-54-38-16-6-4-14-34(38)33-13-3-5-15-35(33)51(41)54;1-2-13-32-27-43-36(26-31(32)12-1)37-28-49-45(29-44(37)51(43)33-14-11-25-50-30-33)53(42-19-5-8-24-48(42)55-49)39-21-10-15-34-35(39)16-9-20-38(34)52-40-17-3-6-22-46(40)54-47-23-7-4-18-41(47)52;1-2-12-37-31(10-1)21-24-42-49(37)38-28-48-44(29-43(38)53(42)36-11-9-25-50-30-36)52(41-15-5-8-18-47(41)55-48)35-23-20-32-26-34(22-19-33(32)27-35)51-39-13-3-6-16-45(39)54-46-17-7-4-14-40(46)51/h1-52H;1-42H;1-34H;3-30H,1-2H3;2*1-30H
InChIKeyBGAKRSSDXVOWFR-UHFFFAOYSA-N
MW5206.11 g/mol
LogP90.61
Rot. Bonds25

About 20-(2,6-dimethyl-10-phenothiazin-10-ylanthracen-9-yl)-27-thia-16-selena-20-azaheptacyclo[15.12.0.02,15.03,8.09,14.019,28.021,26]nonacosa-1(29),2(15),3,5,7,9,11,13,17,19(28),21,23,25-tridecaene;14-[6-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-2-yl]-10,10-diphenyl-21,21-dipyridin-3-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[10-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-9-yl]-21,21-dipyridin-3-yl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-(6-phenothiazin-10-ylnaphthalen-2-yl)-25-pyridin-3-yl-11-thia-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene;12-(6-phenoxazin-10-ylanthracen-2-yl)-16-pyridin-4-yl-5-oxa-12,16-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene;4-(5-phenoxazin-10-ylnaphthalen-1-yl)-25-pyridin-3-yl-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene

20-(2,6-dimethyl-10-phenothiazin-10-ylanthracen-9-yl)-27-thia-16-selena-20-azaheptacyclo[15.12.0.02,15.03,8.09,14.019,28.021,26]nonacosa-1(29),2(15),3,5,7,9,11,13,17,19(28),21,23,25-tridecaene;14-[6-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-2-yl]-10,10-diphenyl-21,21-dipyridin-3-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[10-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-9-yl]-21,21-dipyridin-3-yl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-(6-phenothiazin-10-ylnaphthalen-2-yl)-25-pyridin-3-yl-11-thia-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene;12-(6-phenoxazin-10-ylanthracen-2-yl)-16-pyridin-4-yl-5-oxa-12,16-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene;4-(5-phenoxazin-10-ylnaphthalen-1-yl)-25-pyridin-3-yl-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene (PubChem CID 157337693) has the molecular formula C353H222N26O4S4Se2Si and a molecular weight of 5206.11 g/mol. Its IUPAC name is 20-(2,6-dimethyl-10-phenothiazin-10-ylanthracen-9-yl)-27-thia-16-selena-20-azaheptacyclo[15.12.0.02,15.03,8.09,14.019,28.021,26]nonacosa-1(29),2(15),3,5,7,9,11,13,17,19(28),21,23,25-tridecaene;14-[6-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-2-yl]-10,10-diphenyl-21,21-dipyridin-3-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[10-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-9-yl]-21,21-dipyridin-3-yl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-(6-phenothiazin-10-ylnaphthalen-2-yl)-25-pyridin-3-yl-11-thia-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene;12-(6-phenoxazin-10-ylanthracen-2-yl)-16-pyridin-4-yl-5-oxa-12,16-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene;4-(5-phenoxazin-10-ylnaphthalen-1-yl)-25-pyridin-3-yl-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene.

Molecular Properties

Compound Name20-(2,6-dimethyl-10-phenothiazin-10-ylanthracen-9-yl)-27-thia-16-selena-20-azaheptacyclo[15.12.0.02,15.03,8.09,14.019,28.021,26]nonacosa-1(29),2(15),3,5,7,9,11,13,17,19(28),21,23,25-tridecaene;14-[6-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-2-yl]-10,10-diphenyl-21,21-dipyridin-3-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[10-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-9-yl]-21,21-dipyridin-3-yl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-(6-phenothiazin-10-ylnaphthalen-2-yl)-25-pyridin-3-yl-11-thia-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene;12-(6-phenoxazin-10-ylanthracen-2-yl)-16-pyridin-4-yl-5-oxa-12,16-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene;4-(5-phenoxazin-10-ylnaphthalen-1-yl)-25-pyridin-3-yl-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene
PubChem CID157337693
Molecular FormulaC353H222N26O4S4Se2Si
Molecular Weight5206.11 g/mol
Exact Mass5203.49
IUPAC Name20-(2,6-dimethyl-10-phenothiazin-10-ylanthracen-9-yl)-27-thia-16-selena-20-azaheptacyclo[15.12.0.02,15.03,8.09,14.019,28.021,26]nonacosa-1(29),2(15),3,5,7,9,11,13,17,19(28),21,23,25-tridecaene;14-[6-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-2-yl]-10,10-diphenyl-21,21-dipyridin-3-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[10-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-9-yl]-21,21-dipyridin-3-yl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-(6-phenothiazin-10-ylnaphthalen-2-yl)-25-pyridin-3-yl-11-thia-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene;12-(6-phenoxazin-10-ylanthracen-2-yl)-16-pyridin-4-yl-5-oxa-12,16-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene;4-(5-phenoxazin-10-ylnaphthalen-1-yl)-25-pyridin-3-yl-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene
SMILESCc1ccc2c(N3c4ccccc4Sc4cc5c(cc43)[se]c3c4ccccc4c4ccccc4c53)c3cc(C)ccc3c(N3c4ccccc4Sc4ccccc43)c2c1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3cc4c(cc32)N(c2ccc3cc5cc(N6c7ccccc7C(c7cccnc7)(c7cccnc7)c7ccccc76)ccc5cc3c2)c2ccccc2C4(c2cccnc2)c2cccnc2)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc2cc3cc(N4c5ccccc5Oc5cc6c7cc8cc9ccccc9cc8cc7n(-c7ccncc7)c6cc54)ccc3cc2c1.c1cncc(-n2c3cc4c(cc3c3c5ccccc5ccc32)Sc2ccccc2N4c2ccc3cc(N4c5ccccc5Sc5ccccc54)ccc3c2)c1.c1cncc(-n2c3cc4c(cc3c3cc5ccccc5cc32)Oc2ccccc2N4c2cccc3c(N4c5ccccc5Oc5ccccc54)cccc23)c1.c1cncc(C2(c3cccnc3)c3ccccc3N(c3c4ccccc4c(N4c5ccccc5C(c5cccnc5)(c5cccnc5)c5cc6c(cc54)[se]c4ccccc46)c4ccccc34)c3ccccc32)c1
InChIInChI=1S/C78H52N6Si.C66H42N6Se.C57H34N4O2.C54H34N2S2Se.C49H30N4O2.C49H30N4S2/c1-3-23-63(24-4-1)85(64-25-5-2-6-26-64)75-34-14-7-27-65(75)66-47-70-74(48-76(66)85)84(73-33-13-10-30-69(73)78(70,59-21-17-41-81-51-59)60-22-18-42-82-52-60)62-38-36-54-43-55-45-61(37-35-53(55)44-56(54)46-62)83-71-31-11-8-28-67(71)77(57-19-15-39-79-49-57,58-20-16-40-80-50-58)68-29-9-12-32-72(68)83;1-3-24-50-48(22-1)63(71-57-29-9-6-26-53(57)65(43-17-13-33-67-39-43,44-18-14-34-68-40-44)54-27-7-10-30-58(54)71)49-23-2-4-25-51(49)64(50)72-59-31-11-8-28-55(59)66(45-19-15-35-69-41-45,46-20-16-36-70-42-46)56-37-52-47-21-5-12-32-61(47)73-62(52)38-60(56)72;1-2-10-36-26-42-32-51-46(31-41(42)25-35(36)9-1)47-33-57-53(34-52(47)59(51)43-21-23-58-24-22-43)61(50-13-5-8-16-56(50)63-57)45-20-18-38-27-39-29-44(19-17-37(39)28-40(38)30-45)60-48-11-3-6-14-54(48)62-55-15-7-4-12-49(55)60;1-31-24-26-37-39(27-31)52(55-42-17-7-10-20-46(42)57-47-21-11-8-18-43(47)55)36-25-23-32(2)28-40(36)53(37)56-44-19-9-12-22-48(44)58-49-29-41-50(30-45(49)56)59-54-38-16-6-4-14-34(38)33-13-3-5-15-35(33)51(41)54;1-2-13-32-27-43-36(26-31(32)12-1)37-28-49-45(29-44(37)51(43)33-14-11-25-50-30-33)53(42-19-5-8-24-48(42)55-49)39-21-10-15-34-35(39)16-9-20-38(34)52-40-17-3-6-22-46(40)54-47-23-7-4-18-41(47)52;1-2-12-37-31(10-1)21-24-42-49(37)38-28-48-44(29-43(38)53(42)36-11-9-25-50-30-36)52(41-15-5-8-18-47(41)55-48)35-23-20-32-26-34(22-19-33(32)27-35)51-39-13-3-6-16-45(39)54-46-17-7-4-14-40(46)51/h1-52H;1-42H;1-34H;3-30H,1-2H3;2*1-30H
InChIKeyBGAKRSSDXVOWFR-UHFFFAOYSA-N
XLogP90.61
TPSA232.38 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds25
Heavy Atoms390
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005206.11
LogP ≤ 590.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze 20-(2,6-dimethyl-10-phenothiazin-10-ylanthracen-9-yl)-27-thia-16-selena-20-azaheptacyclo[15.12.0.02,15.03,8.09,14.019,28.021,26]nonacosa-1(29),2(15),3,5,7,9,11,13,17,19(28),21,23,25-tridecaene;14-[6-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-2-yl]-10,10-diphenyl-21,21-dipyridin-3-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[10-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-9-yl]-21,21-dipyridin-3-yl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-(6-phenothiazin-10-ylnaphthalen-2-yl)-25-pyridin-3-yl-11-thia-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene;12-(6-phenoxazin-10-ylanthracen-2-yl)-16-pyridin-4-yl-5-oxa-12,16-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene;4-(5-phenoxazin-10-ylnaphthalen-1-yl)-25-pyridin-3-yl-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene with MolForge

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What is the IUPAC name of 20-(2,6-dimethyl-10-phenothiazin-10-ylanthracen-9-yl)-27-thia-16-selena-20-azaheptacyclo[15.12.0.02,15.03,8.09,14.019,28.021,26]nonacosa-1(29),2(15),3,5,7,9,11,13,17,19(28),21,23,25-tridecaene;14-[6-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-2-yl]-10,10-diphenyl-21,21-dipyridin-3-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[10-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-9-yl]-21,21-dipyridin-3-yl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-(6-phenothiazin-10-ylnaphthalen-2-yl)-25-pyridin-3-yl-11-thia-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene;12-(6-phenoxazin-10-ylanthracen-2-yl)-16-pyridin-4-yl-5-oxa-12,16-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene;4-(5-phenoxazin-10-ylnaphthalen-1-yl)-25-pyridin-3-yl-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene?
The IUPAC name of 20-(2,6-dimethyl-10-phenothiazin-10-ylanthracen-9-yl)-27-thia-16-selena-20-azaheptacyclo[15.12.0.02,15.03,8.09,14.019,28.021,26]nonacosa-1(29),2(15),3,5,7,9,11,13,17,19(28),21,23,25-tridecaene;14-[6-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-2-yl]-10,10-diphenyl-21,21-dipyridin-3-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[10-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-9-yl]-21,21-dipyridin-3-yl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-(6-phenothiazin-10-ylnaphthalen-2-yl)-25-pyridin-3-yl-11-thia-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene;12-(6-phenoxazin-10-ylanthracen-2-yl)-16-pyridin-4-yl-5-oxa-12,16-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene;4-(5-phenoxazin-10-ylnaphthalen-1-yl)-25-pyridin-3-yl-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene (CID 157337693) is 20-(2,6-dimethyl-10-phenothiazin-10-ylanthracen-9-yl)-27-thia-16-selena-20-azaheptacyclo[15.12.0.02,15.03,8.09,14.019,28.021,26]nonacosa-1(29),2(15),3,5,7,9,11,13,17,19(28),21,23,25-tridecaene;14-[6-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-2-yl]-10,10-diphenyl-21,21-dipyridin-3-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[10-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-9-yl]-21,21-dipyridin-3-yl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-(6-phenothiazin-10-ylnaphthalen-2-yl)-25-pyridin-3-yl-11-thia-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene;12-(6-phenoxazin-10-ylanthracen-2-yl)-16-pyridin-4-yl-5-oxa-12,16-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene;4-(5-phenoxazin-10-ylnaphthalen-1-yl)-25-pyridin-3-yl-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene.
What is the SMILES notation for 20-(2,6-dimethyl-10-phenothiazin-10-ylanthracen-9-yl)-27-thia-16-selena-20-azaheptacyclo[15.12.0.02,15.03,8.09,14.019,28.021,26]nonacosa-1(29),2(15),3,5,7,9,11,13,17,19(28),21,23,25-tridecaene;14-[6-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-2-yl]-10,10-diphenyl-21,21-dipyridin-3-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[10-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-9-yl]-21,21-dipyridin-3-yl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-(6-phenothiazin-10-ylnaphthalen-2-yl)-25-pyridin-3-yl-11-thia-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene;12-(6-phenoxazin-10-ylanthracen-2-yl)-16-pyridin-4-yl-5-oxa-12,16-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene;4-(5-phenoxazin-10-ylnaphthalen-1-yl)-25-pyridin-3-yl-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene?
The canonical SMILES for 20-(2,6-dimethyl-10-phenothiazin-10-ylanthracen-9-yl)-27-thia-16-selena-20-azaheptacyclo[15.12.0.02,15.03,8.09,14.019,28.021,26]nonacosa-1(29),2(15),3,5,7,9,11,13,17,19(28),21,23,25-tridecaene;14-[6-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-2-yl]-10,10-diphenyl-21,21-dipyridin-3-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[10-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-9-yl]-21,21-dipyridin-3-yl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-(6-phenothiazin-10-ylnaphthalen-2-yl)-25-pyridin-3-yl-11-thia-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene;12-(6-phenoxazin-10-ylanthracen-2-yl)-16-pyridin-4-yl-5-oxa-12,16-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene;4-(5-phenoxazin-10-ylnaphthalen-1-yl)-25-pyridin-3-yl-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene is Cc1ccc2c(N3c4ccccc4Sc4cc5c(cc43)[se]c3c4ccccc4c4ccccc4c53)c3cc(C)ccc3c(N3c4ccccc4Sc4ccccc43)c2c1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3cc4c(cc32)N(c2ccc3cc5cc(N6c7ccccc7C(c7cccnc7)(c7cccnc7)c7ccccc76)ccc5cc3c2)c2ccccc2C4(c2cccnc2)c2cccnc2)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc2cc3cc(N4c5ccccc5Oc5cc6c7cc8cc9ccccc9cc8cc7n(-c7ccncc7)c6cc54)ccc3cc2c1.c1cncc(-n2c3cc4c(cc3c3c5ccccc5ccc32)Sc2ccccc2N4c2ccc3cc(N4c5ccccc5Sc5ccccc54)ccc3c2)c1.c1cncc(-n2c3cc4c(cc3c3cc5ccccc5cc32)Oc2ccccc2N4c2cccc3c(N4c5ccccc5Oc5ccccc54)cccc23)c1.c1cncc(C2(c3cccnc3)c3ccccc3N(c3c4ccccc4c(N4c5ccccc5C(c5cccnc5)(c5cccnc5)c5cc6c(cc54)[se]c4ccccc46)c4ccccc34)c3ccccc32)c1.
What is the InChIKey of 20-(2,6-dimethyl-10-phenothiazin-10-ylanthracen-9-yl)-27-thia-16-selena-20-azaheptacyclo[15.12.0.02,15.03,8.09,14.019,28.021,26]nonacosa-1(29),2(15),3,5,7,9,11,13,17,19(28),21,23,25-tridecaene;14-[6-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-2-yl]-10,10-diphenyl-21,21-dipyridin-3-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[10-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-9-yl]-21,21-dipyridin-3-yl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-(6-phenothiazin-10-ylnaphthalen-2-yl)-25-pyridin-3-yl-11-thia-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene;12-(6-phenoxazin-10-ylanthracen-2-yl)-16-pyridin-4-yl-5-oxa-12,16-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene;4-(5-phenoxazin-10-ylnaphthalen-1-yl)-25-pyridin-3-yl-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene?
The InChIKey is BGAKRSSDXVOWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H52N6Si.C66H42N6Se.C57H34N4O2.C54H34N2S2Se.C49H30N4O2.C49H30N4S2/c1-3-23-63(24-4-1)85(64-25-5-2-6-26-64)75-34-14-7-27-65(75)66-47-70-74(48-76(66)85)84(73-33-13-10-30-69(73)78(70,59-21-17-41-81-51-59)60-22-18-42-82-52-60)62-38-36-54-43-55-45-61(37-35-53(55)44-56(54)46-62)83-71-31-11-8-28-67(71)77(57-19-15-39-79-49-57,58-20-16-40-80-50-58)68-29-9-12-32-72(68)83;1-3-24-50-48(22-1)63(71-57-29-9-6-26-53(57)65(43-17-13-33-67-39-43,44-18-14-34-68-40-44)54-27-7-10-30-58(54)71)49-23-2-4-25-51(49)64(50)72-59-31-11-8-28-55(59)66(45-19-15-35-69-41-45,46-20-16-36-70-42-46)56-37-52-47-21-5-12-32-61(47)73-62(52)38-60(56)72;1-2-10-36-26-42-32-51-46(31-41(42)25-35(36)9-1)47-33-57-53(34-52(47)59(51)43-21-23-58-24-22-43)61(50-13-5-8-16-56(50)63-57)45-20-18-38-27-39-29-44(19-17-37(39)28-40(38)30-45)60-48-11-3-6-14-54(48)62-55-15-7-4-12-49(55)60;1-31-24-26-37-39(27-31)52(55-42-17-7-10-20-46(42)57-47-21-11-8-18-43(47)55)36-25-23-32(2)28-40(36)53(37)56-44-19-9-12-22-48(44)58-49-29-41-50(30-45(49)56)59-54-38-16-6-4-14-34(38)33-13-3-5-15-35(33)51(41)54;1-2-13-32-27-43-36(26-31(32)12-1)37-28-49-45(29-44(37)51(43)33-14-11-25-50-30-33)53(42-19-5-8-24-48(42)55-49)39-21-10-15-34-35(39)16-9-20-38(34)52-40-17-3-6-22-46(40)54-47-23-7-4-18-41(47)52;1-2-12-37-31(10-1)21-24-42-49(37)38-28-48-44(29-43(38)53(42)36-11-9-25-50-30-36)52(41-15-5-8-18-47(41)55-48)35-23-20-32-26-34(22-19-33(32)27-35)51-39-13-3-6-16-45(39)54-46-17-7-4-14-40(46)51/h1-52H;1-42H;1-34H;3-30H,1-2H3;2*1-30H.
What are the key properties of 20-(2,6-dimethyl-10-phenothiazin-10-ylanthracen-9-yl)-27-thia-16-selena-20-azaheptacyclo[15.12.0.02,15.03,8.09,14.019,28.021,26]nonacosa-1(29),2(15),3,5,7,9,11,13,17,19(28),21,23,25-tridecaene;14-[6-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-2-yl]-10,10-diphenyl-21,21-dipyridin-3-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[10-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-9-yl]-21,21-dipyridin-3-yl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-(6-phenothiazin-10-ylnaphthalen-2-yl)-25-pyridin-3-yl-11-thia-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene;12-(6-phenoxazin-10-ylanthracen-2-yl)-16-pyridin-4-yl-5-oxa-12,16-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene;4-(5-phenoxazin-10-ylnaphthalen-1-yl)-25-pyridin-3-yl-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene?
20-(2,6-dimethyl-10-phenothiazin-10-ylanthracen-9-yl)-27-thia-16-selena-20-azaheptacyclo[15.12.0.02,15.03,8.09,14.019,28.021,26]nonacosa-1(29),2(15),3,5,7,9,11,13,17,19(28),21,23,25-tridecaene;14-[6-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-2-yl]-10,10-diphenyl-21,21-dipyridin-3-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[10-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-9-yl]-21,21-dipyridin-3-yl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-(6-phenothiazin-10-ylnaphthalen-2-yl)-25-pyridin-3-yl-11-thia-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene;12-(6-phenoxazin-10-ylanthracen-2-yl)-16-pyridin-4-yl-5-oxa-12,16-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene;4-(5-phenoxazin-10-ylnaphthalen-1-yl)-25-pyridin-3-yl-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene has a molecular weight of 5206.11 g/mol, XLogP of 90.61, 25 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 20-(2,6-dimethyl-10-phenothiazin-10-ylanthracen-9-yl)-27-thia-16-selena-20-azaheptacyclo[15.12.0.02,15.03,8.09,14.019,28.021,26]nonacosa-1(29),2(15),3,5,7,9,11,13,17,19(28),21,23,25-tridecaene;14-[6-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-2-yl]-10,10-diphenyl-21,21-dipyridin-3-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[10-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-9-yl]-21,21-dipyridin-3-yl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-(6-phenothiazin-10-ylnaphthalen-2-yl)-25-pyridin-3-yl-11-thia-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene;12-(6-phenoxazin-10-ylanthracen-2-yl)-16-pyridin-4-yl-5-oxa-12,16-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene;4-(5-phenoxazin-10-ylnaphthalen-1-yl)-25-pyridin-3-yl-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene is sourced from PubChem (CID 157337693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).