4-[3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-[9-(4-dibenzothiophen-3-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

C186H109N9OS — CID 157105255

IUPAC4-[3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-[9-(4-dibenzothiophen-3-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
SMILESc1ccc2c(c1)c1ccccc1c1cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c8cccc9c%10ccccc%10n(c7c6)c98)ccc54)cc3)ccc21.c1ccc2c(c1)oc1c(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c8cccc9c%10ccccc%10n(c7c6)c98)ccc54)cc3)cccc12.c1ccc2c(c1)sc1cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c8cccc9c%10ccccc%10n(c7c6)c98)ccc54)cc3)ccc12
InChIInChI=1S/C66H39N3.C60H35N3O.C60H35N3S/c1-2-14-48-46(12-1)47-13-3-4-15-49(47)57-36-41(26-32-50(48)57)40-24-29-44(30-25-40)67-60-21-8-6-17-52(60)58-37-42(27-34-63(58)67)43-28-35-64-59(38-43)53-18-7-9-22-61(53)68(64)45-31-33-54-56-20-11-19-55-51-16-5-10-23-62(51)69(66(55)56)65(54)39-45;1-7-21-54-42(11-1)47-16-10-17-48-45-30-29-40(35-57(45)63(54)59(47)48)62-53-20-6-3-13-44(53)51-34-38(26-32-56(51)62)37-25-31-55-50(33-37)43-12-2-5-19-52(43)61(55)39-27-23-36(24-28-39)41-15-9-18-49-46-14-4-8-22-58(46)64-60(41)49;1-7-18-54-42(10-1)48-14-9-15-49-45-29-27-41(35-57(45)63(54)60(48)49)62-53-17-6-3-12-44(53)51-33-38(24-31-56(51)62)37-23-30-55-50(32-37)43-11-2-5-16-52(43)61(55)40-25-20-36(21-26-40)39-22-28-47-46-13-4-8-19-58(46)64-59(47)34-39/h1-39H;2*1-35H
InChIKeyAGFIPONNVORVDA-UHFFFAOYSA-N
MW2518.05 g/mol
LogP50.82
Rot. Bonds12

About 4-[3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-[9-(4-dibenzothiophen-3-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

4-[3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-[9-(4-dibenzothiophen-3-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (PubChem CID 157105255) has the molecular formula C186H109N9OS and a molecular weight of 2518.05 g/mol. Its IUPAC name is 4-[3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-[9-(4-dibenzothiophen-3-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.

Molecular Properties

Compound Name4-[3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-[9-(4-dibenzothiophen-3-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
PubChem CID157105255
Molecular FormulaC186H109N9OS
Molecular Weight2518.05 g/mol
Exact Mass2515.85
IUPAC Name4-[3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-[9-(4-dibenzothiophen-3-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
SMILESc1ccc2c(c1)c1ccccc1c1cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c8cccc9c%10ccccc%10n(c7c6)c98)ccc54)cc3)ccc21.c1ccc2c(c1)oc1c(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c8cccc9c%10ccccc%10n(c7c6)c98)ccc54)cc3)cccc12.c1ccc2c(c1)sc1cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c8cccc9c%10ccccc%10n(c7c6)c98)ccc54)cc3)ccc12
InChIInChI=1S/C66H39N3.C60H35N3O.C60H35N3S/c1-2-14-48-46(12-1)47-13-3-4-15-49(47)57-36-41(26-32-50(48)57)40-24-29-44(30-25-40)67-60-21-8-6-17-52(60)58-37-42(27-34-63(58)67)43-28-35-64-59(38-43)53-18-7-9-22-61(53)68(64)45-31-33-54-56-20-11-19-55-51-16-5-10-23-62(51)69(66(55)56)65(54)39-45;1-7-21-54-42(11-1)47-16-10-17-48-45-30-29-40(35-57(45)63(54)59(47)48)62-53-20-6-3-13-44(53)51-34-38(26-32-56(51)62)37-25-31-55-50(33-37)43-12-2-5-19-52(43)61(55)39-27-23-36(24-28-39)41-15-9-18-49-46-14-4-8-22-58(46)64-60(41)49;1-7-18-54-42(10-1)48-14-9-15-49-45-29-27-41(35-57(45)63(54)60(48)49)62-53-17-6-3-12-44(53)51-33-38(24-31-56(51)62)37-23-30-55-50(32-37)43-11-2-5-16-52(43)61(55)40-25-20-36(21-26-40)39-22-28-47-46-13-4-8-19-58(46)64-59(47)34-39/h1-39H;2*1-35H
InChIKeyAGFIPONNVORVDA-UHFFFAOYSA-N
XLogP50.82
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002518.05
LogP ≤ 550.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-[3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-[9-(4-dibenzothiophen-3-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene with MolForge

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Related Compounds

N-[4-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)phenyl]-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-phenylaniline
CID 155135461
N-[4-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)phenyl]-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-phenylaniline
CID 155135572
10-N,22-N-bis(4-fluorophenyl)-26-phenyl-10-N,22-N-bis(6-phenyldibenzofuran-2-yl)-13-thia-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.07,12.023,30.024,29]triaconta-2(18),3(15),4,6(14),7(12),8,10,16,19(30),20,22,24(29),25,27-tetradecaene-10,22-diamine
CID 156374017
9-(10-Anthracen-9-ylanthracen-9-yl)-11,11-dimethylphenanthro[1,2-b][1]benzosilole;11,11-diphenyl-9-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenanthro[1,2-b][1]benzosilole;11,11-diphenyl-9-[10-[10-(trifluoromethyl)anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzosilole;9-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-11,11-diphenylphenanthro[1,2-b][1]benzosilole;9-[10-(4-octylanthracen-9-yl)anthracen-9-yl]-11,11-diphenylphenanthro[1,2-b][1]benzosilole;19-[10-(10-phenanthren-3-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;3-[10-(10-phenanthro[1,2-b][1]benzothiol-9-ylanthracen-9-yl)anthracen-9-yl]-9-phenylcarbazole
CID 157847024
3,5-Bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tris(3-carbazol-9-ylphenyl)benzonitrile;3,5-bis([1]benzothiolo[2,3-b]indol-6-yl)-2,4,6-tris(9-phenylcarbazol-3-yl)benzonitrile;2,4,6-tris(4-carbazol-9-ylphenyl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 158255927
6-N,21-N-di(dibenzofuran-2-yl)-6-N,21-N-bis(4-fluorophenyl)-3-thia-1-azaheptacyclo[13.10.1.02,10.04,9.011,26.016,25.018,23]hexacosa-2(10),4(9),5,7,11,13,15(26),16(25),17,19,21,23-dodecaene-6,21-diamine
CID 159969489
3,5-Bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tri(dibenzothiophen-1-yl)benzonitrile;3,5-bis([1]benzothiolo[2,3-b]indol-6-yl)-2,4,6-tri(dibenzofuran-1-yl)benzonitrile;2,4,6-tri(dibenzothiophen-4-yl)-3,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 161941328
13-tert-butyl-6-N,21-N-di(dibenzofuran-2-yl)-6-N,21-N-bis(4-fluorophenyl)-3-thia-1-azaheptacyclo[13.10.1.02,10.04,9.011,26.016,25.018,23]hexacosa-2(10),4(9),5,7,11,13,15(26),16(25),17,19,21,23-dodecaene-6,21-diamine
CID 166048773
23-tert-butyl-9-N,27-N-bis(9-phenylcarbazol-4-yl)-9-N,27-N-bis(6-phenylnaphthalen-2-yl)-12-oxa-19-azaoctacyclo[17.10.1.02,18.04,16.05,13.06,11.020,25.026,30]triaconta-1(30),2(18),3,5(13),6(11),7,9,14,16,20(25),21,23,26,28-tetradecaene-9,27-diamine;23-tert-butyl-10-N,27-N-di(dibenzothiophen-4-yl)-10-N-(4-methylphenyl)-27-N-[4-(trideuteriomethyl)phenyl]-13-oxa-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.07,12.020,25.026,30]triaconta-1(30),2(18),3(15),4,6(14),7(12),8,10,16,20(25),21,23,26,28-tetradecaene-10,27-diamine;28-tert-butyl-22-N-(3,5-dimethylphenyl)-10-N-[3-methyl-5-(trifluoromethyl)phenyl]-10-N,22-N-diphenyl-7-oxa-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8(13),9,11,16,20(25),21,23,26(30),27-tetradecaene-10,22-diamine
CID 168391199
9-N,27-N-bis(3,5-dimethylphenyl)-21-propan-2-yl-9-N,27-N-bis(4-trimethylsilylphenyl)-12-oxa-1-azaoctacyclo[17.10.1.02,18.04,16.05,13.06,11.023,30.024,29]triaconta-2(18),3,5(13),6(11),7,9,14,16,19,21,23(30),24(29),25,27-tetradecaene-9,27-diamine;10-N,27-N-di(dibenzothiophen-4-yl)-10-N-(4-methylphenyl)-23-propan-2-yl-27-N-[4-(trideuteriomethyl)phenyl]-13-oxa-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.07,12.020,25.026,30]triaconta-1(30),2(18),3(15),4,6(14),7(12),8,10,16,20(25),21,23,26,28-tetradecaene-10,27-diamine;22-N-(3,5-dimethylphenyl)-10-N-[3-methyl-5-(trifluoromethyl)phenyl]-10-N,22-N-diphenyl-28-propan-2-yl-7-oxa-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8(13),9,11,16,20(25),21,23,26(30),27-tetradecaene-10,22-diamine
CID 168391429
10-N,27-N-di(dibenzothiophen-3-yl)-10-N,27-N-bis(9,9-dimethylfluoren-3-yl)-21-(2,4,6-trimethylphenyl)-13-oxa-1-azaoctacyclo[17.10.1.02,18.04,16.06,14.07,12.023,30.024,29]triaconta-2,4,6(14),7(12),8,10,15,17,19,21,23(30),24(29),25,27-tetradecaene-10,27-diamine;27-N-(2,4-difluorophenyl)-9-N-(3,5-difluorophenyl)-23-phenyl-9-N,27-N-bis[4-(trifluoromethyl)phenyl]-6-oxa-19-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.020,25.026,30]triaconta-1(30),2(18),3,5(13),7(12),8,10,14,16,20(25),21,23,26,28-tetradecaene-9,27-diamine;10-N,10-N,22-N,22-N-tetrakis(4-tert-butylphenyl)-28-(2-methylphenyl)-13-oxa-19-azaoctacyclo[17.10.1.02,18.04,16.06,14.07,12.020,25.026,30]triaconta-1(29),2,4,6(14),7(12),8,10,15,17,20(25),21,23,26(30),27-tetradecaene-10,22-diamine
CID 168399924
28-tert-butyl-9-N,22-N-bis(3,4-dimethylphenyl)-12,12-dimethyl-9-N,22-N-bis[4-(trifluoromethyl)phenyl]-19-azaoctacyclo[17.10.1.02,18.03,15.05,13.06,11.020,25.026,30]triaconta-1(29),2(18),3,5(13),6(11),7,9,14,16,20(25),21,23,26(30),27-tetradecaene-9,22-diamine;28-tert-butyl-9-N,22-N-di(dibenzofuran-4-yl)-6,6-dimethyl-9-N,22-N-bis(3-phenylphenyl)-19-azaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.020,25.026,30]triaconta-1(29),2(18),3,5(13),7(12),8,10,14,16,20(25),21,23,26(30),27-tetradecaene-9,22-diamine;10-N,27-N-di(dibenzothiophen-4-yl)-10-N,27-N-bis(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.07,12.020,25.026,30]triaconta-1(30),2(18),3(15),4,6(14),7(12),8,10,16,20,22,24,26,28-tetradecaene-10,27-diamine
CID 168409151

Frequently Asked Questions

What is the IUPAC name of 4-[3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-[9-(4-dibenzothiophen-3-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The IUPAC name of 4-[3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-[9-(4-dibenzothiophen-3-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (CID 157105255) is 4-[3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-[9-(4-dibenzothiophen-3-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.
What is the SMILES notation for 4-[3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-[9-(4-dibenzothiophen-3-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The canonical SMILES for 4-[3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-[9-(4-dibenzothiophen-3-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is c1ccc2c(c1)c1ccccc1c1cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c8cccc9c%10ccccc%10n(c7c6)c98)ccc54)cc3)ccc21.c1ccc2c(c1)oc1c(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c8cccc9c%10ccccc%10n(c7c6)c98)ccc54)cc3)cccc12.c1ccc2c(c1)sc1cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c8cccc9c%10ccccc%10n(c7c6)c98)ccc54)cc3)ccc12.
What is the InChIKey of 4-[3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-[9-(4-dibenzothiophen-3-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The InChIKey is AGFIPONNVORVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H39N3.C60H35N3O.C60H35N3S/c1-2-14-48-46(12-1)47-13-3-4-15-49(47)57-36-41(26-32-50(48)57)40-24-29-44(30-25-40)67-60-21-8-6-17-52(60)58-37-42(27-34-63(58)67)43-28-35-64-59(38-43)53-18-7-9-22-61(53)68(64)45-31-33-54-56-20-11-19-55-51-16-5-10-23-62(51)69(66(55)56)65(54)39-45;1-7-21-54-42(11-1)47-16-10-17-48-45-30-29-40(35-57(45)63(54)59(47)48)62-53-20-6-3-13-44(53)51-34-38(26-32-56(51)62)37-25-31-55-50(33-37)43-12-2-5-19-52(43)61(55)39-27-23-36(24-28-39)41-15-9-18-49-46-14-4-8-22-58(46)64-60(41)49;1-7-18-54-42(10-1)48-14-9-15-49-45-29-27-41(35-57(45)63(54)60(48)49)62-53-17-6-3-12-44(53)51-33-38(24-31-56(51)62)37-23-30-55-50(32-37)43-11-2-5-16-52(43)61(55)40-25-20-36(21-26-40)39-22-28-47-46-13-4-8-19-58(46)64-59(47)34-39/h1-39H;2*1-35H.
What are the key properties of 4-[3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-[9-(4-dibenzothiophen-3-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
4-[3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-[9-(4-dibenzothiophen-3-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene has a molecular weight of 2518.05 g/mol, XLogP of 50.82, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-[9-(4-dibenzothiophen-3-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[3-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 157105255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).