N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-2-ylaniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(9H-fluoren-3-yl)aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline

C175H108N6O2S2 — CID 157457987

IUPACN-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-2-ylaniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(9H-fluoren-3-yl)aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc(-c4cc5c6ccccc6n6c7ccccc7c(c4)c56)cc3)cc2)cc1.c1ccc2c(c1)Cc1ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccc(-c5cc6c7ccccc7n7c8ccccc8c(c5)c67)cc4)cc3)cc1-2.c1ccc2c(c1)oc1c(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc(-c5cc6c7ccccc7n7c8ccccc8c(c5)c67)cc4)cc3)cccc12
InChIInChI=1S/C61H38N2O.C60H36N2OS.C54H34N2S/c1-2-10-49-43(9-1)33-44-18-17-41(34-54(44)49)38-19-26-46(27-20-38)62(47-28-21-39(22-29-47)42-25-32-53-52-13-5-8-16-59(52)64-60(53)37-42)48-30-23-40(24-31-48)45-35-55-50-11-3-6-14-57(50)63-58-15-7-4-12-51(58)56(36-45)61(55)63;1-5-16-54-46(10-1)52-35-41(36-53-47-11-2-6-17-55(47)62(54)59(52)53)38-22-29-43(30-23-38)61(42-27-20-37(21-28-42)40-26-33-58-51(34-40)49-13-4-8-19-57(49)64-58)44-31-24-39(25-32-44)45-14-9-15-50-48-12-3-7-18-56(48)63-60(45)50;1-2-10-35(11-3-1)36-18-25-41(26-19-36)55(42-27-20-37(21-28-42)39-24-31-53-47(32-39)46-14-6-9-17-52(46)57-53)43-29-22-38(23-30-43)40-33-48-44-12-4-7-15-50(44)56-51-16-8-5-13-45(51)49(34-40)54(48)56/h1-32,34-37H,33H2;1-36H;1-34H
InChIKeyBTOWKGDESOWTNF-UHFFFAOYSA-N
MW2390.96 g/mol
LogP50.03
Rot. Bonds18

About N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-2-ylaniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(9H-fluoren-3-yl)aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline

N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-2-ylaniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(9H-fluoren-3-yl)aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline (PubChem CID 157457987) has the molecular formula C175H108N6O2S2 and a molecular weight of 2390.96 g/mol. Its IUPAC name is N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-2-ylaniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(9H-fluoren-3-yl)aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline.

Molecular Properties

Compound NameN-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-2-ylaniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(9H-fluoren-3-yl)aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
PubChem CID157457987
Molecular FormulaC175H108N6O2S2
Molecular Weight2390.96 g/mol
Exact Mass2388.80
IUPAC NameN-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-2-ylaniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(9H-fluoren-3-yl)aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc(-c4cc5c6ccccc6n6c7ccccc7c(c4)c56)cc3)cc2)cc1.c1ccc2c(c1)Cc1ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccc(-c5cc6c7ccccc7n7c8ccccc8c(c5)c67)cc4)cc3)cc1-2.c1ccc2c(c1)oc1c(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc(-c5cc6c7ccccc7n7c8ccccc8c(c5)c67)cc4)cc3)cccc12
InChIInChI=1S/C61H38N2O.C60H36N2OS.C54H34N2S/c1-2-10-49-43(9-1)33-44-18-17-41(34-54(44)49)38-19-26-46(27-20-38)62(47-28-21-39(22-29-47)42-25-32-53-52-13-5-8-16-59(52)64-60(53)37-42)48-30-23-40(24-31-48)45-35-55-50-11-3-6-14-57(50)63-58-15-7-4-12-51(58)56(36-45)61(55)63;1-5-16-54-46(10-1)52-35-41(36-53-47-11-2-6-17-55(47)62(54)59(52)53)38-22-29-43(30-23-38)61(42-27-20-37(21-28-42)40-26-33-58-51(34-40)49-13-4-8-19-57(49)64-58)44-31-24-39(25-32-44)45-14-9-15-50-48-12-3-7-18-56(48)63-60(45)50;1-2-10-35(11-3-1)36-18-25-41(26-19-36)55(42-27-20-37(21-28-42)39-24-31-53-47(32-39)46-14-6-9-17-52(46)57-53)43-29-22-38(23-30-43)40-33-48-44-12-4-7-15-50(44)56-51-16-8-5-13-45(51)49(34-40)54(48)56/h1-32,34-37H,33H2;1-36H;1-34H
InChIKeyBTOWKGDESOWTNF-UHFFFAOYSA-N
XLogP50.03
TPSA49.23 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms185
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002390.96
LogP ≤ 550.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-2-ylaniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(9H-fluoren-3-yl)aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline 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
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
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
6-N,24-N-di(dibenzofuran-2-yl)-6-N,24-N-bis(4-fluorophenyl)-9,9-dimethyl-21-thia-1-azaoctacyclo[17.9.1.02,10.03,8.011,29.012,17.020,28.022,27]nonacosa-2(10),3(8),4,6,11(29),12,14,16,18,20(28),22(27),23,25-tridecaene-6,24-diamine
CID 166048809
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
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
N-(4-tert-butylcyclohexa-1,5-dien-1-yl)-N-[14-(3-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-19-methyl-14-phenyl-20-[(Z)-prop-1-enyl]-21-oxa-3-thiahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4,6,8,10,12,15(23),16,18(22),19-decaen-11-yl]-3-methyl-1-phenyl-2-[(Z)-prop-1-enyl]-4,5-dihydroindol-6-amine
CID 169583963
N-(4-tert-butylphenyl)-N-[15-(3-fluorophenyl)-15-phenyl-4-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,22,24-dodecaen-18-yl]-9-phenylcarbazol-2-amine
CID 170080257
N-(4-tert-butylphenyl)-N-(4'-fluorospiro[4-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,22,24-dodecaene-15,9'-fluorene]-18-yl)-9-phenylcarbazol-2-amine
CID 170080264
3-Dibenzofuran-2-yl-6-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-9-phenylcarbazole
CID 53491596
9-[3-[3-(3-Dibenzofuran-2-ylphenyl)-5-dibenzothiophen-2-ylphenyl]phenyl]carbazole
CID 57544199

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-2-ylaniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(9H-fluoren-3-yl)aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline?
The IUPAC name of N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-2-ylaniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(9H-fluoren-3-yl)aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline (CID 157457987) is N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-2-ylaniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(9H-fluoren-3-yl)aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline.
What is the SMILES notation for N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-2-ylaniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(9H-fluoren-3-yl)aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline?
The canonical SMILES for N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-2-ylaniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(9H-fluoren-3-yl)aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc(-c4cc5c6ccccc6n6c7ccccc7c(c4)c56)cc3)cc2)cc1.c1ccc2c(c1)Cc1ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccc(-c5cc6c7ccccc7n7c8ccccc8c(c5)c67)cc4)cc3)cc1-2.c1ccc2c(c1)oc1c(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc(-c5cc6c7ccccc7n7c8ccccc8c(c5)c67)cc4)cc3)cccc12.
What is the InChIKey of N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-2-ylaniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(9H-fluoren-3-yl)aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline?
The InChIKey is BTOWKGDESOWTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N2O.C60H36N2OS.C54H34N2S/c1-2-10-49-43(9-1)33-44-18-17-41(34-54(44)49)38-19-26-46(27-20-38)62(47-28-21-39(22-29-47)42-25-32-53-52-13-5-8-16-59(52)64-60(53)37-42)48-30-23-40(24-31-48)45-35-55-50-11-3-6-14-57(50)63-58-15-7-4-12-51(58)56(36-45)61(55)63;1-5-16-54-46(10-1)52-35-41(36-53-47-11-2-6-17-55(47)62(54)59(52)53)38-22-29-43(30-23-38)61(42-27-20-37(21-28-42)40-26-33-58-51(34-40)49-13-4-8-19-57(49)64-58)44-31-24-39(25-32-44)45-14-9-15-50-48-12-3-7-18-56(48)63-60(45)50;1-2-10-35(11-3-1)36-18-25-41(26-19-36)55(42-27-20-37(21-28-42)39-24-31-53-47(32-39)46-14-6-9-17-52(46)57-53)43-29-22-38(23-30-43)40-33-48-44-12-4-7-15-50(44)56-51-16-8-5-13-45(51)49(34-40)54(48)56/h1-32,34-37H,33H2;1-36H;1-34H.
What are the key properties of N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-2-ylaniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(9H-fluoren-3-yl)aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline?
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-2-ylaniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(9H-fluoren-3-yl)aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline has a molecular weight of 2390.96 g/mol, XLogP of 50.03, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-2-ylaniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(9H-fluoren-3-yl)aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline is sourced from PubChem (CID 157457987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).