3-[3-(3,5-diphenylphenyl)phenyl]-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;3-[3-(3,5-diphenylphenyl)phenyl]-16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;3-[4-(3,5-diphenylphenyl)phenyl]-22-phenyl-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;9-[4-(3,5-diphenylphenyl)phenyl]-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;15-[4-(3,5-diphenylphenyl)phenyl]-9-phenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;23-[3-(3,5-diphenylphenyl)phenyl]-9-phenyl-9,23-diazahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene

C312H204N12 — CID 158328613

IUPAC3-[3-(3,5-diphenylphenyl)phenyl]-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;3-[3-(3,5-diphenylphenyl)phenyl]-16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;3-[4-(3,5-diphenylphenyl)phenyl]-22-phenyl-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;9-[4-(3,5-diphenylphenyl)phenyl]-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;15-[4-(3,5-diphenylphenyl)phenyl]-9-phenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;23-[3-(3,5-diphenylphenyl)phenyl]-9-phenyl-9,23-diazahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6c6ccccc6c54)cc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5ccc6c(ccc7c6c6ccccc6n7-c6ccccc6)c54)cc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5ccc6cc7c8ccccc8n(-c8ccccc8)c7cc6c54)cc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-n4c5ccccc5c5ccc6c(ccc7c8ccccc8n(-c8ccccc8)c76)c54)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-n4c5ccccc5c5ccc6cc7c(cc6c54)c4ccccc4n7-c4ccccc4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-n4c5ccccc5c5ccc6ccc7c(c8ccccc8n7-c7ccccc7)c6c54)c3)c2)cc1
InChIInChI=1S/6C52H34N2/c1-4-15-35(16-5-1)39-29-40(36-17-6-2-7-18-36)31-41(30-39)37-19-14-22-43(32-37)54-50-26-13-10-23-44(50)46-28-27-38-33-51-48(34-47(38)52(46)54)45-24-11-12-25-49(45)53(51)42-20-8-3-9-21-42;1-4-14-35(15-5-1)39-30-40(36-16-6-2-7-17-36)32-41(31-39)37-24-27-43(28-25-37)54-50-23-13-10-20-44(50)46-29-26-38-33-48-45-21-11-12-22-49(45)53(42-18-8-3-9-19-42)51(48)34-47(38)52(46)54;1-4-15-35(16-5-1)38-31-39(36-17-6-2-7-18-36)33-40(32-38)37-19-14-22-42(34-37)54-50-26-13-11-24-44(50)46-28-29-47-48(52(46)54)30-27-45-43-23-10-12-25-49(43)53(51(45)47)41-20-8-3-9-21-41;1-4-15-35(16-5-1)39-31-40(36-17-6-2-7-18-36)33-41(32-39)38-19-14-22-43(34-38)54-47-25-12-10-23-44(47)45-29-27-37-28-30-49-51(50(37)52(45)54)46-24-11-13-26-48(46)53(49)42-20-8-3-9-21-42;1-4-14-35(15-5-1)38-32-39(36-16-6-2-7-17-36)34-40(33-38)37-24-26-42(27-25-37)54-48-22-12-10-20-43(48)45-29-28-44-46(52(45)54)30-31-50-51(44)47-21-11-13-23-49(47)53(50)41-18-8-3-9-19-41;1-4-16-35(17-5-1)38-32-39(36-18-6-2-7-19-36)34-40(33-38)37-28-30-42(31-29-37)54-48-27-15-13-25-46(48)50-49-45-24-12-14-26-47(45)53(41-20-8-3-9-21-41)51(49)43-22-10-11-23-44(43)52(50)54/h6*1-34H
InChIKeyGPSLKVXXEKJKNJ-UHFFFAOYSA-N
MW4121.15 g/mol
LogP84.21
Rot. Bonds30

About 3-[3-(3,5-diphenylphenyl)phenyl]-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;3-[3-(3,5-diphenylphenyl)phenyl]-16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;3-[4-(3,5-diphenylphenyl)phenyl]-22-phenyl-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;9-[4-(3,5-diphenylphenyl)phenyl]-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;15-[4-(3,5-diphenylphenyl)phenyl]-9-phenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;23-[3-(3,5-diphenylphenyl)phenyl]-9-phenyl-9,23-diazahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene

3-[3-(3,5-diphenylphenyl)phenyl]-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;3-[3-(3,5-diphenylphenyl)phenyl]-16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;3-[4-(3,5-diphenylphenyl)phenyl]-22-phenyl-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;9-[4-(3,5-diphenylphenyl)phenyl]-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;15-[4-(3,5-diphenylphenyl)phenyl]-9-phenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;23-[3-(3,5-diphenylphenyl)phenyl]-9-phenyl-9,23-diazahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene (PubChem CID 158328613) has the molecular formula C312H204N12 and a molecular weight of 4121.15 g/mol. Its IUPAC name is 3-[3-(3,5-diphenylphenyl)phenyl]-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;3-[3-(3,5-diphenylphenyl)phenyl]-16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;3-[4-(3,5-diphenylphenyl)phenyl]-22-phenyl-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;9-[4-(3,5-diphenylphenyl)phenyl]-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;15-[4-(3,5-diphenylphenyl)phenyl]-9-phenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;23-[3-(3,5-diphenylphenyl)phenyl]-9-phenyl-9,23-diazahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene.

Molecular Properties

Compound Name3-[3-(3,5-diphenylphenyl)phenyl]-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;3-[3-(3,5-diphenylphenyl)phenyl]-16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;3-[4-(3,5-diphenylphenyl)phenyl]-22-phenyl-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;9-[4-(3,5-diphenylphenyl)phenyl]-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;15-[4-(3,5-diphenylphenyl)phenyl]-9-phenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;23-[3-(3,5-diphenylphenyl)phenyl]-9-phenyl-9,23-diazahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
PubChem CID158328613
Molecular FormulaC312H204N12
Molecular Weight4121.15 g/mol
Exact Mass4117.63
IUPAC Name3-[3-(3,5-diphenylphenyl)phenyl]-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;3-[3-(3,5-diphenylphenyl)phenyl]-16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;3-[4-(3,5-diphenylphenyl)phenyl]-22-phenyl-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;9-[4-(3,5-diphenylphenyl)phenyl]-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;15-[4-(3,5-diphenylphenyl)phenyl]-9-phenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;23-[3-(3,5-diphenylphenyl)phenyl]-9-phenyl-9,23-diazahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6c6ccccc6c54)cc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5ccc6c(ccc7c6c6ccccc6n7-c6ccccc6)c54)cc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5ccc6cc7c8ccccc8n(-c8ccccc8)c7cc6c54)cc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-n4c5ccccc5c5ccc6c(ccc7c8ccccc8n(-c8ccccc8)c76)c54)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-n4c5ccccc5c5ccc6cc7c(cc6c54)c4ccccc4n7-c4ccccc4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-n4c5ccccc5c5ccc6ccc7c(c8ccccc8n7-c7ccccc7)c6c54)c3)c2)cc1
InChIInChI=1S/6C52H34N2/c1-4-15-35(16-5-1)39-29-40(36-17-6-2-7-18-36)31-41(30-39)37-19-14-22-43(32-37)54-50-26-13-10-23-44(50)46-28-27-38-33-51-48(34-47(38)52(46)54)45-24-11-12-25-49(45)53(51)42-20-8-3-9-21-42;1-4-14-35(15-5-1)39-30-40(36-16-6-2-7-17-36)32-41(31-39)37-24-27-43(28-25-37)54-50-23-13-10-20-44(50)46-29-26-38-33-48-45-21-11-12-22-49(45)53(42-18-8-3-9-19-42)51(48)34-47(38)52(46)54;1-4-15-35(16-5-1)38-31-39(36-17-6-2-7-18-36)33-40(32-38)37-19-14-22-42(34-37)54-50-26-13-11-24-44(50)46-28-29-47-48(52(46)54)30-27-45-43-23-10-12-25-49(43)53(51(45)47)41-20-8-3-9-21-41;1-4-15-35(16-5-1)39-31-40(36-17-6-2-7-18-36)33-41(32-39)38-19-14-22-43(34-38)54-47-25-12-10-23-44(47)45-29-27-37-28-30-49-51(50(37)52(45)54)46-24-11-13-26-48(46)53(49)42-20-8-3-9-21-42;1-4-14-35(15-5-1)38-32-39(36-16-6-2-7-17-36)34-40(33-38)37-24-26-42(27-25-37)54-48-22-12-10-20-43(48)45-29-28-44-46(52(45)54)30-31-50-51(44)47-21-11-13-23-49(47)53(50)41-18-8-3-9-19-41;1-4-16-35(17-5-1)38-32-39(36-18-6-2-7-19-36)34-40(33-38)37-28-30-42(31-29-37)54-48-27-15-13-25-46(48)50-49-45-24-12-14-26-47(45)53(41-20-8-3-9-21-41)51(49)43-22-10-11-23-44(43)52(50)54/h6*1-34H
InChIKeyGPSLKVXXEKJKNJ-UHFFFAOYSA-N
XLogP84.21
TPSA59.16 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds30
Heavy Atoms324
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004121.15
LogP ≤ 584.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3-[3-(3,5-diphenylphenyl)phenyl]-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;3-[3-(3,5-diphenylphenyl)phenyl]-16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;3-[4-(3,5-diphenylphenyl)phenyl]-22-phenyl-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;9-[4-(3,5-diphenylphenyl)phenyl]-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;15-[4-(3,5-diphenylphenyl)phenyl]-9-phenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;23-[3-(3,5-diphenylphenyl)phenyl]-9-phenyl-9,23-diazahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene with MolForge

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Related Compounds

5,12-bis(4-phenylphenyl)indolo[3,2-c]carbazole;5,12-dinaphthalen-2-ylindolo[3,2-c]carbazole;11-(3,5-diphenylphenyl)-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 167695725
9-naphthalen-2-yl-14-phenyl-5-[9-(3-phenylphenyl)carbazol-3-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;5-naphthalen-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-12-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-c]carbazole
CID 158811809
3-carbazol-9-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole;12-(3,5-diphenylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159378561
12-[4-(3-carbazol-9-ylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 159456602
5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 134168773
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
14,18-diphenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene;14,18-diphenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene;9,14-diphenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-naphthalen-2-yl-28-(3-phenylphenyl)-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene
CID 159541677
5-phenyl-11-[4-[6-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]naphthalen-2-yl]phenyl]indolo[3,2-b]carbazole
CID 88917509
9,28-diphenyl-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;9-naphthalen-2-yl-28-phenyl-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;12-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;28-phenyl-9-(3-phenylphenyl)-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene
CID 167600151
25-(3-carbazol-9-ylphenyl)-10-(4-phenylphenyl)-10,25-diazaheptacyclo[15.11.0.02,14.03,11.04,9.018,26.019,24]octacosa-1(17),2(14),3(11),4,6,8,12,15,18(26),19,21,23,27-tridecaene
CID 142289804

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-diphenylphenyl)phenyl]-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;3-[3-(3,5-diphenylphenyl)phenyl]-16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;3-[4-(3,5-diphenylphenyl)phenyl]-22-phenyl-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;9-[4-(3,5-diphenylphenyl)phenyl]-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;15-[4-(3,5-diphenylphenyl)phenyl]-9-phenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;23-[3-(3,5-diphenylphenyl)phenyl]-9-phenyl-9,23-diazahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene?
The IUPAC name of 3-[3-(3,5-diphenylphenyl)phenyl]-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;3-[3-(3,5-diphenylphenyl)phenyl]-16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;3-[4-(3,5-diphenylphenyl)phenyl]-22-phenyl-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;9-[4-(3,5-diphenylphenyl)phenyl]-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;15-[4-(3,5-diphenylphenyl)phenyl]-9-phenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;23-[3-(3,5-diphenylphenyl)phenyl]-9-phenyl-9,23-diazahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene (CID 158328613) is 3-[3-(3,5-diphenylphenyl)phenyl]-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;3-[3-(3,5-diphenylphenyl)phenyl]-16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;3-[4-(3,5-diphenylphenyl)phenyl]-22-phenyl-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;9-[4-(3,5-diphenylphenyl)phenyl]-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;15-[4-(3,5-diphenylphenyl)phenyl]-9-phenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;23-[3-(3,5-diphenylphenyl)phenyl]-9-phenyl-9,23-diazahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene.
What is the SMILES notation for 3-[3-(3,5-diphenylphenyl)phenyl]-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;3-[3-(3,5-diphenylphenyl)phenyl]-16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;3-[4-(3,5-diphenylphenyl)phenyl]-22-phenyl-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;9-[4-(3,5-diphenylphenyl)phenyl]-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;15-[4-(3,5-diphenylphenyl)phenyl]-9-phenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;23-[3-(3,5-diphenylphenyl)phenyl]-9-phenyl-9,23-diazahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene?
The canonical SMILES for 3-[3-(3,5-diphenylphenyl)phenyl]-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;3-[3-(3,5-diphenylphenyl)phenyl]-16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;3-[4-(3,5-diphenylphenyl)phenyl]-22-phenyl-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;9-[4-(3,5-diphenylphenyl)phenyl]-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;15-[4-(3,5-diphenylphenyl)phenyl]-9-phenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;23-[3-(3,5-diphenylphenyl)phenyl]-9-phenyl-9,23-diazahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6c6ccccc6c54)cc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5ccc6c(ccc7c6c6ccccc6n7-c6ccccc6)c54)cc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5ccc6cc7c8ccccc8n(-c8ccccc8)c7cc6c54)cc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-n4c5ccccc5c5ccc6c(ccc7c8ccccc8n(-c8ccccc8)c76)c54)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-n4c5ccccc5c5ccc6cc7c(cc6c54)c4ccccc4n7-c4ccccc4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-n4c5ccccc5c5ccc6ccc7c(c8ccccc8n7-c7ccccc7)c6c54)c3)c2)cc1.
What is the InChIKey of 3-[3-(3,5-diphenylphenyl)phenyl]-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;3-[3-(3,5-diphenylphenyl)phenyl]-16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;3-[4-(3,5-diphenylphenyl)phenyl]-22-phenyl-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;9-[4-(3,5-diphenylphenyl)phenyl]-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;15-[4-(3,5-diphenylphenyl)phenyl]-9-phenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;23-[3-(3,5-diphenylphenyl)phenyl]-9-phenyl-9,23-diazahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene?
The InChIKey is GPSLKVXXEKJKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/6C52H34N2/c1-4-15-35(16-5-1)39-29-40(36-17-6-2-7-18-36)31-41(30-39)37-19-14-22-43(32-37)54-50-26-13-10-23-44(50)46-28-27-38-33-51-48(34-47(38)52(46)54)45-24-11-12-25-49(45)53(51)42-20-8-3-9-21-42;1-4-14-35(15-5-1)39-30-40(36-16-6-2-7-17-36)32-41(31-39)37-24-27-43(28-25-37)54-50-23-13-10-20-44(50)46-29-26-38-33-48-45-21-11-12-22-49(45)53(42-18-8-3-9-19-42)51(48)34-47(38)52(46)54;1-4-15-35(16-5-1)38-31-39(36-17-6-2-7-18-36)33-40(32-38)37-19-14-22-42(34-37)54-50-26-13-11-24-44(50)46-28-29-47-48(52(46)54)30-27-45-43-23-10-12-25-49(43)53(51(45)47)41-20-8-3-9-21-41;1-4-15-35(16-5-1)39-31-40(36-17-6-2-7-18-36)33-41(32-39)38-19-14-22-43(34-38)54-47-25-12-10-23-44(47)45-29-27-37-28-30-49-51(50(37)52(45)54)46-24-11-13-26-48(46)53(49)42-20-8-3-9-21-42;1-4-14-35(15-5-1)38-32-39(36-16-6-2-7-17-36)34-40(33-38)37-24-26-42(27-25-37)54-48-22-12-10-20-43(48)45-29-28-44-46(52(45)54)30-31-50-51(44)47-21-11-13-23-49(47)53(50)41-18-8-3-9-19-41;1-4-16-35(17-5-1)38-32-39(36-18-6-2-7-19-36)34-40(33-38)37-28-30-42(31-29-37)54-48-27-15-13-25-46(48)50-49-45-24-12-14-26-47(45)53(41-20-8-3-9-21-41)51(49)43-22-10-11-23-44(43)52(50)54/h6*1-34H.
What are the key properties of 3-[3-(3,5-diphenylphenyl)phenyl]-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;3-[3-(3,5-diphenylphenyl)phenyl]-16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;3-[4-(3,5-diphenylphenyl)phenyl]-22-phenyl-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;9-[4-(3,5-diphenylphenyl)phenyl]-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;15-[4-(3,5-diphenylphenyl)phenyl]-9-phenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;23-[3-(3,5-diphenylphenyl)phenyl]-9-phenyl-9,23-diazahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene?
3-[3-(3,5-diphenylphenyl)phenyl]-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;3-[3-(3,5-diphenylphenyl)phenyl]-16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;3-[4-(3,5-diphenylphenyl)phenyl]-22-phenyl-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;9-[4-(3,5-diphenylphenyl)phenyl]-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;15-[4-(3,5-diphenylphenyl)phenyl]-9-phenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;23-[3-(3,5-diphenylphenyl)phenyl]-9-phenyl-9,23-diazahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene has a molecular weight of 4121.15 g/mol, XLogP of 84.21, 30 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-diphenylphenyl)phenyl]-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;3-[3-(3,5-diphenylphenyl)phenyl]-16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;3-[4-(3,5-diphenylphenyl)phenyl]-22-phenyl-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;9-[4-(3,5-diphenylphenyl)phenyl]-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;15-[4-(3,5-diphenylphenyl)phenyl]-9-phenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;23-[3-(3,5-diphenylphenyl)phenyl]-9-phenyl-9,23-diazahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene is sourced from PubChem (CID 158328613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).