18-(9,9-dimethylfluoren-2-yl)-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-1-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-2-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(9-phenyl-9H-fluoren-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-phenyl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene

C288H180N12S6 — CID 159749262

IUPAC18-(9,9-dimethylfluoren-2-yl)-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-1-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-2-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(9-phenyl-9H-fluoren-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-phenyl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3c5c(ccc3n4-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)sc3ccccc35)cc21.c1ccc(-c2ccc(-c3ccc4c(c3)c3c5c(ccc3n4-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)sc3ccccc35)cc2)cc1.c1ccc(-c2ccc3c(c2)c2c4c(ccc2n3-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)sc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccc(-c6ccc7ccccc7c6)cc5c5c6c(ccc54)sc4ccccc46)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccc(-c6cccc7ccccc67)cc5c5c6c(ccc54)sc4ccccc46)ccc32)cc1.c1ccc(C2c3ccccc3-c3cc(-c4ccc5c(c4)c4c6c(ccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)sc4ccccc46)ccc32)cc1
InChIInChI=1S/C55H34N2S.C51H34N2S.C48H30N2S.2C46H28N2S.C42H26N2S/c1-3-13-34(14-4-1)53-41-19-8-7-17-39(41)44-31-35(23-26-42(44)53)36-24-27-49-46(32-36)54-50(29-30-52-55(54)43-20-10-12-22-51(43)58-52)57(49)38-25-28-48-45(33-38)40-18-9-11-21-47(40)56(48)37-15-5-2-6-16-37;1-51(2)41-17-9-6-14-35(41)36-23-20-32(29-42(36)51)31-21-24-45-40(28-31)49-46(26-27-48-50(49)38-16-8-11-19-47(38)54-48)53(45)34-22-25-44-39(30-34)37-15-7-10-18-43(37)52(44)33-12-4-3-5-13-33;1-3-11-31(12-4-1)32-19-21-33(22-20-32)34-23-25-43-40(29-34)47-44(27-28-46-48(47)38-16-8-10-18-45(38)51-46)50(43)36-24-26-42-39(30-36)37-15-7-9-17-41(37)49(42)35-13-5-2-6-14-35;1-2-13-31(14-3-1)47-39-19-8-6-16-35(39)37-28-32(22-24-40(37)47)48-41-23-21-30(34-18-10-12-29-11-4-5-15-33(29)34)27-38(41)45-42(48)25-26-44-46(45)36-17-7-9-20-43(36)49-44;1-2-12-33(13-3-1)47-39-16-8-6-14-35(39)37-28-34(21-23-40(37)47)48-41-22-20-32(31-19-18-29-10-4-5-11-30(29)26-31)27-38(41)45-42(48)24-25-44-46(45)36-15-7-9-17-43(36)49-44;1-3-11-27(12-4-1)28-19-21-37-34(25-28)41-38(23-24-40-42(41)32-16-8-10-18-39(32)45-40)44(37)30-20-22-36-33(26-30)31-15-7-9-17-35(31)43(36)29-13-5-2-6-14-29/h1-33,53H;3-30H,1-2H3;1-30H;2*1-28H;1-26H
InChIKeyNDLFXFCIZGJIJB-UHFFFAOYSA-N
MW4001.09 g/mol
LogP80.93
Rot. Bonds20

About 18-(9,9-dimethylfluoren-2-yl)-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-1-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-2-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(9-phenyl-9H-fluoren-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-phenyl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene

18-(9,9-dimethylfluoren-2-yl)-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-1-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-2-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(9-phenyl-9H-fluoren-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-phenyl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene (PubChem CID 159749262) has the molecular formula C288H180N12S6 and a molecular weight of 4001.09 g/mol. Its IUPAC name is 18-(9,9-dimethylfluoren-2-yl)-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-1-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-2-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(9-phenyl-9H-fluoren-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-phenyl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene.

Molecular Properties

Compound Name18-(9,9-dimethylfluoren-2-yl)-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-1-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-2-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(9-phenyl-9H-fluoren-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-phenyl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
PubChem CID159749262
Molecular FormulaC288H180N12S6
Molecular Weight4001.09 g/mol
Exact Mass3997.28
IUPAC Name18-(9,9-dimethylfluoren-2-yl)-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-1-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-2-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(9-phenyl-9H-fluoren-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-phenyl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3c5c(ccc3n4-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)sc3ccccc35)cc21.c1ccc(-c2ccc(-c3ccc4c(c3)c3c5c(ccc3n4-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)sc3ccccc35)cc2)cc1.c1ccc(-c2ccc3c(c2)c2c4c(ccc2n3-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)sc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccc(-c6ccc7ccccc7c6)cc5c5c6c(ccc54)sc4ccccc46)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccc(-c6cccc7ccccc67)cc5c5c6c(ccc54)sc4ccccc46)ccc32)cc1.c1ccc(C2c3ccccc3-c3cc(-c4ccc5c(c4)c4c6c(ccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)sc4ccccc46)ccc32)cc1
InChIInChI=1S/C55H34N2S.C51H34N2S.C48H30N2S.2C46H28N2S.C42H26N2S/c1-3-13-34(14-4-1)53-41-19-8-7-17-39(41)44-31-35(23-26-42(44)53)36-24-27-49-46(32-36)54-50(29-30-52-55(54)43-20-10-12-22-51(43)58-52)57(49)38-25-28-48-45(33-38)40-18-9-11-21-47(40)56(48)37-15-5-2-6-16-37;1-51(2)41-17-9-6-14-35(41)36-23-20-32(29-42(36)51)31-21-24-45-40(28-31)49-46(26-27-48-50(49)38-16-8-11-19-47(38)54-48)53(45)34-22-25-44-39(30-34)37-15-7-10-18-43(37)52(44)33-12-4-3-5-13-33;1-3-11-31(12-4-1)32-19-21-33(22-20-32)34-23-25-43-40(29-34)47-44(27-28-46-48(47)38-16-8-10-18-45(38)51-46)50(43)36-24-26-42-39(30-36)37-15-7-9-17-41(37)49(42)35-13-5-2-6-14-35;1-2-13-31(14-3-1)47-39-19-8-6-16-35(39)37-28-32(22-24-40(37)47)48-41-23-21-30(34-18-10-12-29-11-4-5-15-33(29)34)27-38(41)45-42(48)25-26-44-46(45)36-17-7-9-20-43(36)49-44;1-2-12-33(13-3-1)47-39-16-8-6-14-35(39)37-28-34(21-23-40(37)47)48-41-22-20-32(31-19-18-29-10-4-5-11-30(29)26-31)27-38(41)45-42(48)24-25-44-46(45)36-15-7-9-17-43(36)49-44;1-3-11-27(12-4-1)28-19-21-37-34(25-28)41-38(23-24-40-42(41)32-16-8-10-18-39(32)45-40)44(37)30-20-22-36-33(26-30)31-15-7-9-17-35(31)43(36)29-13-5-2-6-14-29/h1-33,53H;3-30H,1-2H3;1-30H;2*1-28H;1-26H
InChIKeyNDLFXFCIZGJIJB-UHFFFAOYSA-N
XLogP80.93
TPSA59.16 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms306
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004001.09
LogP ≤ 580.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 18-(9,9-dimethylfluoren-2-yl)-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-1-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-2-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(9-phenyl-9H-fluoren-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-phenyl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene with MolForge

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Related Compounds

3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9,9-dimethylfluoren-2-yl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;7,7-dimethyl-5-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 161187955
12-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-[1]benzothiolo[3,2-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole
CID 157483474
5-naphthalen-2-yl-11-phenyl-2-(9-phenylcarbazol-3-yl)-11H-indeno[1,2-b]carbazole;9-naphthalen-2-yl-14-phenyl-5-(9-phenyl-9H-fluoren-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-7-phenyl-2-(9-phenyl-9H-fluoren-3-yl)-7H-indeno[2,1-b]carbazole
CID 159195289
3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-naphthalen-1-ylphenyl]-9-(4-phenylphenyl)carbazole;3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-phenylphenyl]-9-(4-phenylphenyl)carbazole;9-phenyl-3-[3-phenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158437914
3-dibenzothiophen-1-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118449069
7,7-dimethyl-5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole;3-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;9-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole
CID 161246000
2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-3-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole
CID 159745382
3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118099001
5-naphthalen-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-7-phenyl-2-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-7H-indeno[2,1-b]carbazole
CID 157209496
3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 160879378
3-[3-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9-phenylcarbazole;9-phenyl-3-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]carbazole
CID 161303255
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 159796041

Frequently Asked Questions

What is the IUPAC name of 18-(9,9-dimethylfluoren-2-yl)-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-1-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-2-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(9-phenyl-9H-fluoren-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-phenyl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?
The IUPAC name of 18-(9,9-dimethylfluoren-2-yl)-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-1-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-2-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(9-phenyl-9H-fluoren-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-phenyl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene (CID 159749262) is 18-(9,9-dimethylfluoren-2-yl)-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-1-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-2-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(9-phenyl-9H-fluoren-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-phenyl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene.
What is the SMILES notation for 18-(9,9-dimethylfluoren-2-yl)-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-1-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-2-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(9-phenyl-9H-fluoren-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-phenyl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?
The canonical SMILES for 18-(9,9-dimethylfluoren-2-yl)-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-1-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-2-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(9-phenyl-9H-fluoren-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-phenyl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3c5c(ccc3n4-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)sc3ccccc35)cc21.c1ccc(-c2ccc(-c3ccc4c(c3)c3c5c(ccc3n4-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)sc3ccccc35)cc2)cc1.c1ccc(-c2ccc3c(c2)c2c4c(ccc2n3-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)sc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccc(-c6ccc7ccccc7c6)cc5c5c6c(ccc54)sc4ccccc46)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccc(-c6cccc7ccccc67)cc5c5c6c(ccc54)sc4ccccc46)ccc32)cc1.c1ccc(C2c3ccccc3-c3cc(-c4ccc5c(c4)c4c6c(ccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)sc4ccccc46)ccc32)cc1.
What is the InChIKey of 18-(9,9-dimethylfluoren-2-yl)-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-1-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-2-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(9-phenyl-9H-fluoren-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-phenyl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?
The InChIKey is NDLFXFCIZGJIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2S.C51H34N2S.C48H30N2S.2C46H28N2S.C42H26N2S/c1-3-13-34(14-4-1)53-41-19-8-7-17-39(41)44-31-35(23-26-42(44)53)36-24-27-49-46(32-36)54-50(29-30-52-55(54)43-20-10-12-22-51(43)58-52)57(49)38-25-28-48-45(33-38)40-18-9-11-21-47(40)56(48)37-15-5-2-6-16-37;1-51(2)41-17-9-6-14-35(41)36-23-20-32(29-42(36)51)31-21-24-45-40(28-31)49-46(26-27-48-50(49)38-16-8-11-19-47(38)54-48)53(45)34-22-25-44-39(30-34)37-15-7-10-18-43(37)52(44)33-12-4-3-5-13-33;1-3-11-31(12-4-1)32-19-21-33(22-20-32)34-23-25-43-40(29-34)47-44(27-28-46-48(47)38-16-8-10-18-45(38)51-46)50(43)36-24-26-42-39(30-36)37-15-7-9-17-41(37)49(42)35-13-5-2-6-14-35;1-2-13-31(14-3-1)47-39-19-8-6-16-35(39)37-28-32(22-24-40(37)47)48-41-23-21-30(34-18-10-12-29-11-4-5-15-33(29)34)27-38(41)45-42(48)25-26-44-46(45)36-17-7-9-20-43(36)49-44;1-2-12-33(13-3-1)47-39-16-8-6-14-35(39)37-28-34(21-23-40(37)47)48-41-22-20-32(31-19-18-29-10-4-5-11-30(29)26-31)27-38(41)45-42(48)24-25-44-46(45)36-15-7-9-17-43(36)49-44;1-3-11-27(12-4-1)28-19-21-37-34(25-28)41-38(23-24-40-42(41)32-16-8-10-18-39(32)45-40)44(37)30-20-22-36-33(26-30)31-15-7-9-17-35(31)43(36)29-13-5-2-6-14-29/h1-33,53H;3-30H,1-2H3;1-30H;2*1-28H;1-26H.
What are the key properties of 18-(9,9-dimethylfluoren-2-yl)-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-1-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-2-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(9-phenyl-9H-fluoren-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-phenyl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?
18-(9,9-dimethylfluoren-2-yl)-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-1-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-2-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(9-phenyl-9H-fluoren-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-phenyl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene has a molecular weight of 4001.09 g/mol, XLogP of 80.93, 20 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 18-(9,9-dimethylfluoren-2-yl)-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-1-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-2-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(9-phenyl-9H-fluoren-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-phenyl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene is sourced from PubChem (CID 159749262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).