9-dibenzothiophen-4-yl-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzothiophen-4-yl-14-(3-phenylquinoxalin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,6-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,7-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C294H184N24S2 — CID 159375114

IUPAC9-dibenzothiophen-4-yl-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzothiophen-4-yl-14-(3-phenylquinoxalin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,6-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,7-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc(-c2ccc(-c3nc4ccccc4nc3-n3c4ccccc4c4c5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5ccc43)cc2)cc1.c1ccc(-c2ccc(-c3nc4ccccc4nc3-n3c4ccccc4c4c5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c5ccc43)cc2)cc1.c1ccc(-c2ccc(-c3nc4ccccc4nc3-n3c4ccccc4c4c5c6ccccc6n(-c6cccc7c6sc6ccccc67)c5ccc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6nc7cc(-c8ccccc8)ccc7nc6-c6ccccc6)c5ccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6nc7ccc(-c8ccccc8)cc7nc6-c6ccccc6)c5ccc43)c2)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3c4c5ccccc5n(-c5cccc6c5sc5ccccc56)c4ccc32)cc1
InChIInChI=1S/C50H30N4S.4C50H32N4.C44H26N4S/c1-2-13-31(14-3-1)32-25-27-33(28-26-32)48-50(52-39-20-8-7-19-38(39)51-48)54-41-22-10-5-17-37(41)47-43(54)30-29-42-46(47)36-16-4-9-21-40(36)53(42)44-23-12-18-35-34-15-6-11-24-45(34)55-49(35)44;1-4-15-33(16-5-1)36-21-14-22-38(31-36)53-43-25-12-10-23-39(43)47-45(53)29-30-46-48(47)40-24-11-13-26-44(40)54(46)50-49(35-19-8-3-9-20-35)51-42-32-37(27-28-41(42)52-50)34-17-6-2-7-18-34;1-4-15-33(16-5-1)36-21-14-22-38(31-36)53-43-25-12-10-23-39(43)47-45(53)29-30-46-48(47)40-24-11-13-26-44(40)54(46)50-49(35-19-8-3-9-20-35)51-41-28-27-37(32-42(41)52-50)34-17-6-2-7-18-34;1-3-14-33(15-4-1)35-26-28-36(29-27-35)49-50(52-42-23-10-9-22-41(42)51-49)54-44-25-12-8-21-40(44)48-46(54)31-30-45-47(48)39-20-7-11-24-43(39)53(45)38-19-13-18-37(32-38)34-16-5-2-6-17-34;1-3-13-33(14-4-1)35-23-25-37(26-24-35)49-50(52-42-20-10-9-19-41(42)51-49)54-44-22-12-8-18-40(44)48-46(54)32-31-45-47(48)39-17-7-11-21-43(39)53(45)38-29-27-36(28-30-38)34-15-5-2-6-16-34;1-2-13-27(14-3-1)42-44(46-33-20-8-7-19-32(33)45-42)48-35-22-10-5-17-31(35)41-37(48)26-25-36-40(41)30-16-4-9-21-34(30)47(36)38-23-12-18-29-28-15-6-11-24-39(28)49-43(29)38/h1-30H;4*1-32H;1-26H
InChIKeyLKFGFEFTMHNNHR-UHFFFAOYSA-N
MW4117.01 g/mol
LogP76.68
Rot. Bonds27

About 9-dibenzothiophen-4-yl-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzothiophen-4-yl-14-(3-phenylquinoxalin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,6-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,7-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

9-dibenzothiophen-4-yl-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzothiophen-4-yl-14-(3-phenylquinoxalin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,6-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,7-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 159375114) has the molecular formula C294H184N24S2 and a molecular weight of 4117.01 g/mol. Its IUPAC name is 9-dibenzothiophen-4-yl-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzothiophen-4-yl-14-(3-phenylquinoxalin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,6-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,7-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name9-dibenzothiophen-4-yl-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzothiophen-4-yl-14-(3-phenylquinoxalin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,6-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,7-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
PubChem CID159375114
Molecular FormulaC294H184N24S2
Molecular Weight4117.01 g/mol
Exact Mass4113.46
IUPAC Name9-dibenzothiophen-4-yl-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzothiophen-4-yl-14-(3-phenylquinoxalin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,6-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,7-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc(-c2ccc(-c3nc4ccccc4nc3-n3c4ccccc4c4c5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5ccc43)cc2)cc1.c1ccc(-c2ccc(-c3nc4ccccc4nc3-n3c4ccccc4c4c5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c5ccc43)cc2)cc1.c1ccc(-c2ccc(-c3nc4ccccc4nc3-n3c4ccccc4c4c5c6ccccc6n(-c6cccc7c6sc6ccccc67)c5ccc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6nc7cc(-c8ccccc8)ccc7nc6-c6ccccc6)c5ccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6nc7ccc(-c8ccccc8)cc7nc6-c6ccccc6)c5ccc43)c2)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3c4c5ccccc5n(-c5cccc6c5sc5ccccc56)c4ccc32)cc1
InChIInChI=1S/C50H30N4S.4C50H32N4.C44H26N4S/c1-2-13-31(14-3-1)32-25-27-33(28-26-32)48-50(52-39-20-8-7-19-38(39)51-48)54-41-22-10-5-17-37(41)47-43(54)30-29-42-46(47)36-16-4-9-21-40(36)53(42)44-23-12-18-35-34-15-6-11-24-45(34)55-49(35)44;1-4-15-33(16-5-1)36-21-14-22-38(31-36)53-43-25-12-10-23-39(43)47-45(53)29-30-46-48(47)40-24-11-13-26-44(40)54(46)50-49(35-19-8-3-9-20-35)51-42-32-37(27-28-41(42)52-50)34-17-6-2-7-18-34;1-4-15-33(16-5-1)36-21-14-22-38(31-36)53-43-25-12-10-23-39(43)47-45(53)29-30-46-48(47)40-24-11-13-26-44(40)54(46)50-49(35-19-8-3-9-20-35)51-41-28-27-37(32-42(41)52-50)34-17-6-2-7-18-34;1-3-14-33(15-4-1)35-26-28-36(29-27-35)49-50(52-42-23-10-9-22-41(42)51-49)54-44-25-12-8-21-40(44)48-46(54)31-30-45-47(48)39-20-7-11-24-43(39)53(45)38-19-13-18-37(32-38)34-16-5-2-6-17-34;1-3-13-33(14-4-1)35-23-25-37(26-24-35)49-50(52-42-20-10-9-19-41(42)51-49)54-44-22-12-8-18-40(44)48-46(54)32-31-45-47(48)39-17-7-11-21-43(39)53(45)38-29-27-36(28-30-38)34-15-5-2-6-16-34;1-2-13-27(14-3-1)42-44(46-33-20-8-7-19-32(33)45-42)48-35-22-10-5-17-31(35)41-37(48)26-25-36-40(41)30-16-4-9-21-34(30)47(36)38-23-12-18-29-28-15-6-11-24-39(28)49-43(29)38/h1-30H;4*1-32H;1-26H
InChIKeyLKFGFEFTMHNNHR-UHFFFAOYSA-N
XLogP76.68
TPSA213.84 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds27
Heavy Atoms320
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004117.01
LogP ≤ 576.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 9-dibenzothiophen-4-yl-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzothiophen-4-yl-14-(3-phenylquinoxalin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,6-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,7-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene with MolForge

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Related Compounds

5-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[3,2-c]carbazole
CID 138467912
14-dibenzothiophen-2-yl-5-[4-[3-(14-dibenzothiophen-4-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-5-phenylphenyl]phenyl]-9-[3-(3-phenylphenyl)phenyl]-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
CID 170116120
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
9-(4-dibenzothiophen-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129122464
6-[14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-[1]benzothiolo[2,3-c]quinoline
CID 126501194
12-(4-phenylphenyl)-20-[3-(4-phenylphenyl)quinoxalin-2-yl]-12,20-diazapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13(18),14,16-nonaene
CID 164807793
N,N,3-triphenyl-2-(2-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)quinoxalin-6-amine
CID 164829405
14-(3-phenylquinoxalin-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 139422459
9-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126580043
3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-4-ylcarbazole;3,6-di(carbazol-9-yl)-9-(8-phenyldibenzothiophen-2-yl)carbazole
CID 159252126
3,9-bis(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 159421498
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-4-yl-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzothiophen-4-yl-14-(3-phenylquinoxalin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,6-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,7-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The IUPAC name of 9-dibenzothiophen-4-yl-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzothiophen-4-yl-14-(3-phenylquinoxalin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,6-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,7-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 159375114) is 9-dibenzothiophen-4-yl-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzothiophen-4-yl-14-(3-phenylquinoxalin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,6-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,7-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.
What is the SMILES notation for 9-dibenzothiophen-4-yl-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzothiophen-4-yl-14-(3-phenylquinoxalin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,6-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,7-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The canonical SMILES for 9-dibenzothiophen-4-yl-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzothiophen-4-yl-14-(3-phenylquinoxalin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,6-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,7-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1ccc(-c2ccc(-c3nc4ccccc4nc3-n3c4ccccc4c4c5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5ccc43)cc2)cc1.c1ccc(-c2ccc(-c3nc4ccccc4nc3-n3c4ccccc4c4c5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c5ccc43)cc2)cc1.c1ccc(-c2ccc(-c3nc4ccccc4nc3-n3c4ccccc4c4c5c6ccccc6n(-c6cccc7c6sc6ccccc67)c5ccc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6nc7cc(-c8ccccc8)ccc7nc6-c6ccccc6)c5ccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6nc7ccc(-c8ccccc8)cc7nc6-c6ccccc6)c5ccc43)c2)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3c4c5ccccc5n(-c5cccc6c5sc5ccccc56)c4ccc32)cc1.
What is the InChIKey of 9-dibenzothiophen-4-yl-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzothiophen-4-yl-14-(3-phenylquinoxalin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,6-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,7-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The InChIKey is LKFGFEFTMHNNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4S.4C50H32N4.C44H26N4S/c1-2-13-31(14-3-1)32-25-27-33(28-26-32)48-50(52-39-20-8-7-19-38(39)51-48)54-41-22-10-5-17-37(41)47-43(54)30-29-42-46(47)36-16-4-9-21-40(36)53(42)44-23-12-18-35-34-15-6-11-24-45(34)55-49(35)44;1-4-15-33(16-5-1)36-21-14-22-38(31-36)53-43-25-12-10-23-39(43)47-45(53)29-30-46-48(47)40-24-11-13-26-44(40)54(46)50-49(35-19-8-3-9-20-35)51-42-32-37(27-28-41(42)52-50)34-17-6-2-7-18-34;1-4-15-33(16-5-1)36-21-14-22-38(31-36)53-43-25-12-10-23-39(43)47-45(53)29-30-46-48(47)40-24-11-13-26-44(40)54(46)50-49(35-19-8-3-9-20-35)51-41-28-27-37(32-42(41)52-50)34-17-6-2-7-18-34;1-3-14-33(15-4-1)35-26-28-36(29-27-35)49-50(52-42-23-10-9-22-41(42)51-49)54-44-25-12-8-21-40(44)48-46(54)31-30-45-47(48)39-20-7-11-24-43(39)53(45)38-19-13-18-37(32-38)34-16-5-2-6-17-34;1-3-13-33(14-4-1)35-23-25-37(26-24-35)49-50(52-42-20-10-9-19-41(42)51-49)54-44-22-12-8-18-40(44)48-46(54)32-31-45-47(48)39-17-7-11-21-43(39)53(45)38-29-27-36(28-30-38)34-15-5-2-6-16-34;1-2-13-27(14-3-1)42-44(46-33-20-8-7-19-32(33)45-42)48-35-22-10-5-17-31(35)41-37(48)26-25-36-40(41)30-16-4-9-21-34(30)47(36)38-23-12-18-29-28-15-6-11-24-39(28)49-43(29)38/h1-30H;4*1-32H;1-26H.
What are the key properties of 9-dibenzothiophen-4-yl-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzothiophen-4-yl-14-(3-phenylquinoxalin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,6-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,7-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
9-dibenzothiophen-4-yl-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzothiophen-4-yl-14-(3-phenylquinoxalin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,6-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,7-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 4117.01 g/mol, XLogP of 76.68, 27 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-4-yl-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzothiophen-4-yl-14-(3-phenylquinoxalin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,6-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,7-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 159375114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).