N-[4-[19-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaen-7-yl]phenyl]-N-phenyldibenzothiophen-2-amine;6-N,20-N-di(dibenzofuran-4-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;6-N,20-N-di(dibenzothiophen-3-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;N-[4-(10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]-N,9-diphenylcarbazol-3-amine

C238H142N8O10S4 — CID 163670822

IUPACN-[4-[19-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaen-7-yl]phenyl]-N-phenyldibenzothiophen-2-amine;6-N,20-N-di(dibenzofuran-4-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;6-N,20-N-di(dibenzothiophen-3-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;N-[4-(10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]-N,9-diphenylcarbazol-3-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)oc3cc5cc6oc7cc(-c8ccc(N(c9ccccc9)c9ccc%10sc%11ccccc%11c%10c9)cc8)ccc7c6cc5cc34)cc2)c2ccc3sc4ccccc4c3c2)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)oc3cc5cc6oc7ccccc7c6cc5cc34)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3oc4cc5cc6oc7ccc(N(c8ccccc8)c8ccc9c(c8)sc8ccccc89)cc7c6cc5cc4c3c2)cc1.c1ccc(N(c2ccc3oc4cc5cc6oc7ccc(N(c8ccccc8)c8cccc9c8oc8ccccc89)cc7c6cc5cc4c3c2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C70H42N2O2S2.C58H34N2O4.C58H34N2O2S2.C52H32N2O2/c1-3-11-49(12-4-1)71(53-29-33-69-61(41-53)57-15-7-9-17-67(57)75-69)51-25-19-43(20-26-51)45-23-31-55-59-35-47-36-60-56-32-24-46(38-64(56)74-66(60)40-48(47)39-65(59)73-63(55)37-45)44-21-27-52(28-22-44)72(50-13-5-2-6-14-50)54-30-34-70-62(42-54)58-16-8-10-18-68(58)76-70;1-3-13-37(14-4-1)59(49-21-11-19-43-41-17-7-9-23-51(41)63-57(43)49)39-25-27-53-47(33-39)45-29-35-30-46-48-34-40(26-28-54(48)62-56(46)32-36(35)31-55(45)61-53)60(38-15-5-2-6-16-38)50-22-12-20-44-42-18-8-10-24-52(42)64-58(44)50;1-3-11-37(12-4-1)59(41-19-23-45-43-15-7-9-17-55(43)63-57(45)33-41)39-21-25-51-49(31-39)47-27-35-28-48-50-32-40(22-26-52(50)62-54(48)30-36(35)29-53(47)61-51)60(38-13-5-2-6-14-38)42-20-24-46-44-16-8-10-18-56(44)64-58(46)34-42;1-3-11-37(12-4-1)53(40-24-26-48-44(32-40)41-15-7-9-17-47(41)54(48)38-13-5-2-6-14-38)39-22-19-33(20-23-39)34-21-25-43-46-28-35-27-45-42-16-8-10-18-49(42)55-51(45)30-36(35)31-52(46)56-50(43)29-34/h1-42H;2*1-34H;1-32H
InChIKeyJCJGGXZKDLZDFU-UHFFFAOYSA-N
MW3402.07 g/mol
LogP72.21
Rot. Bonds25

About N-[4-[19-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaen-7-yl]phenyl]-N-phenyldibenzothiophen-2-amine;6-N,20-N-di(dibenzofuran-4-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;6-N,20-N-di(dibenzothiophen-3-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;N-[4-(10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]-N,9-diphenylcarbazol-3-amine

N-[4-[19-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaen-7-yl]phenyl]-N-phenyldibenzothiophen-2-amine;6-N,20-N-di(dibenzofuran-4-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;6-N,20-N-di(dibenzothiophen-3-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;N-[4-(10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]-N,9-diphenylcarbazol-3-amine (PubChem CID 163670822) has the molecular formula C238H142N8O10S4 and a molecular weight of 3402.07 g/mol. Its IUPAC name is N-[4-[19-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaen-7-yl]phenyl]-N-phenyldibenzothiophen-2-amine;6-N,20-N-di(dibenzofuran-4-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;6-N,20-N-di(dibenzothiophen-3-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;N-[4-(10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]-N,9-diphenylcarbazol-3-amine.

Molecular Properties

Compound NameN-[4-[19-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaen-7-yl]phenyl]-N-phenyldibenzothiophen-2-amine;6-N,20-N-di(dibenzofuran-4-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;6-N,20-N-di(dibenzothiophen-3-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;N-[4-(10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]-N,9-diphenylcarbazol-3-amine
PubChem CID163670822
Molecular FormulaC238H142N8O10S4
Molecular Weight3402.07 g/mol
Exact Mass3398.97
IUPAC NameN-[4-[19-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaen-7-yl]phenyl]-N-phenyldibenzothiophen-2-amine;6-N,20-N-di(dibenzofuran-4-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;6-N,20-N-di(dibenzothiophen-3-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;N-[4-(10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]-N,9-diphenylcarbazol-3-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)oc3cc5cc6oc7cc(-c8ccc(N(c9ccccc9)c9ccc%10sc%11ccccc%11c%10c9)cc8)ccc7c6cc5cc34)cc2)c2ccc3sc4ccccc4c3c2)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)oc3cc5cc6oc7ccccc7c6cc5cc34)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3oc4cc5cc6oc7ccc(N(c8ccccc8)c8ccc9c(c8)sc8ccccc89)cc7c6cc5cc4c3c2)cc1.c1ccc(N(c2ccc3oc4cc5cc6oc7ccc(N(c8ccccc8)c8cccc9c8oc8ccccc89)cc7c6cc5cc4c3c2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C70H42N2O2S2.C58H34N2O4.C58H34N2O2S2.C52H32N2O2/c1-3-11-49(12-4-1)71(53-29-33-69-61(41-53)57-15-7-9-17-67(57)75-69)51-25-19-43(20-26-51)45-23-31-55-59-35-47-36-60-56-32-24-46(38-64(56)74-66(60)40-48(47)39-65(59)73-63(55)37-45)44-21-27-52(28-22-44)72(50-13-5-2-6-14-50)54-30-34-70-62(42-54)58-16-8-10-18-68(58)76-70;1-3-13-37(14-4-1)59(49-21-11-19-43-41-17-7-9-23-51(41)63-57(43)49)39-25-27-53-47(33-39)45-29-35-30-46-48-34-40(26-28-54(48)62-56(46)32-36(35)31-55(45)61-53)60(38-15-5-2-6-16-38)50-22-12-20-44-42-18-8-10-24-52(42)64-58(44)50;1-3-11-37(12-4-1)59(41-19-23-45-43-15-7-9-17-55(43)63-57(45)33-41)39-21-25-51-49(31-39)47-27-35-28-48-50-32-40(22-26-52(50)62-54(48)30-36(35)29-53(47)61-51)60(38-13-5-2-6-14-38)42-20-24-46-44-16-8-10-18-56(44)64-58(46)34-42;1-3-11-37(12-4-1)53(40-24-26-48-44(32-40)41-15-7-9-17-47(41)54(48)38-13-5-2-6-14-38)39-22-19-33(20-23-39)34-21-25-43-46-28-35-27-45-42-16-8-10-18-49(42)55-51(45)30-36(35)31-52(46)56-50(43)29-34/h1-42H;2*1-34H;1-32H
InChIKeyJCJGGXZKDLZDFU-UHFFFAOYSA-N
XLogP72.21
TPSA159.01 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds25
Heavy Atoms260
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003402.07
LogP ≤ 572.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze N-[4-[19-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaen-7-yl]phenyl]-N-phenyldibenzothiophen-2-amine;6-N,20-N-di(dibenzofuran-4-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;6-N,20-N-di(dibenzothiophen-3-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;N-[4-(10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]-N,9-diphenylcarbazol-3-amine with MolForge

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Related Compounds

N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 158890240
3-N-dibenzofuran-4-yl-1-N-dibenzothiophen-3-yl-1-N-phenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzofuran-2-yl]benzene-1,3-diamine
CID 149109551
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 159292400
1-N-dibenzofuran-4-yl-3-N-dibenzothiophen-2-yl-3-N-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-1-N-phenylbenzene-1,3-diamine;3-N-(8-dibenzofuran-2-yldibenzothiophen-2-yl)-3-N-dibenzothiophen-2-yl-1-N,1-N-diphenylbenzene-1,3-diamine;3-N-dibenzothiophen-2-yl-3-N-(8-dibenzothiophen-2-yldibenzothiophen-1-yl)-1-N,1-N-diphenylbenzene-1,3-diamine;3-N-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-1-N,1-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]benzene-1,3-diamine
CID 160796602
6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-2-yl)-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis(9-phenylcarbazol-2-yl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 163713073
1-N-dibenzofuran-4-yl-3-N-dibenzothiophen-3-yl-1-N-phenyl-3-N-[2-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-1-yl]phenyl]benzene-1,3-diamine;3-N-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-1-N,1-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;1-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-1-yl]benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-1-yl]benzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-1-yl]-3-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]benzene-1,3-diamine
CID 159360188
N-phenyl-N-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-3-yl]dibenzofuran-3-amine
CID 129180955
N-dibenzofuran-4-yl-N-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazol-2-amine
CID 168814711
N-dibenzofuran-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine
CID 162144524
N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-naphthalen-1-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine;N-naphthalen-1-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]dibenzothiophen-4-amine
CID 161237437
N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]aniline;N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 164988034
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenanthren-9-amine;N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzofuran-2-amine;N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzofuran-4-amine;N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-4-amine
CID 159296592

Frequently Asked Questions

What is the IUPAC name of N-[4-[19-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaen-7-yl]phenyl]-N-phenyldibenzothiophen-2-amine;6-N,20-N-di(dibenzofuran-4-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;6-N,20-N-di(dibenzothiophen-3-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;N-[4-(10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]-N,9-diphenylcarbazol-3-amine?
The IUPAC name of N-[4-[19-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaen-7-yl]phenyl]-N-phenyldibenzothiophen-2-amine;6-N,20-N-di(dibenzofuran-4-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;6-N,20-N-di(dibenzothiophen-3-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;N-[4-(10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]-N,9-diphenylcarbazol-3-amine (CID 163670822) is N-[4-[19-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaen-7-yl]phenyl]-N-phenyldibenzothiophen-2-amine;6-N,20-N-di(dibenzofuran-4-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;6-N,20-N-di(dibenzothiophen-3-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;N-[4-(10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]-N,9-diphenylcarbazol-3-amine.
What is the SMILES notation for N-[4-[19-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaen-7-yl]phenyl]-N-phenyldibenzothiophen-2-amine;6-N,20-N-di(dibenzofuran-4-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;6-N,20-N-di(dibenzothiophen-3-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;N-[4-(10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]-N,9-diphenylcarbazol-3-amine?
The canonical SMILES for N-[4-[19-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaen-7-yl]phenyl]-N-phenyldibenzothiophen-2-amine;6-N,20-N-di(dibenzofuran-4-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;6-N,20-N-di(dibenzothiophen-3-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;N-[4-(10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]-N,9-diphenylcarbazol-3-amine is c1ccc(N(c2ccc(-c3ccc4c(c3)oc3cc5cc6oc7cc(-c8ccc(N(c9ccccc9)c9ccc%10sc%11ccccc%11c%10c9)cc8)ccc7c6cc5cc34)cc2)c2ccc3sc4ccccc4c3c2)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)oc3cc5cc6oc7ccccc7c6cc5cc34)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3oc4cc5cc6oc7ccc(N(c8ccccc8)c8ccc9c(c8)sc8ccccc89)cc7c6cc5cc4c3c2)cc1.c1ccc(N(c2ccc3oc4cc5cc6oc7ccc(N(c8ccccc8)c8cccc9c8oc8ccccc89)cc7c6cc5cc4c3c2)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of N-[4-[19-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaen-7-yl]phenyl]-N-phenyldibenzothiophen-2-amine;6-N,20-N-di(dibenzofuran-4-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;6-N,20-N-di(dibenzothiophen-3-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;N-[4-(10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]-N,9-diphenylcarbazol-3-amine?
The InChIKey is JCJGGXZKDLZDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42N2O2S2.C58H34N2O4.C58H34N2O2S2.C52H32N2O2/c1-3-11-49(12-4-1)71(53-29-33-69-61(41-53)57-15-7-9-17-67(57)75-69)51-25-19-43(20-26-51)45-23-31-55-59-35-47-36-60-56-32-24-46(38-64(56)74-66(60)40-48(47)39-65(59)73-63(55)37-45)44-21-27-52(28-22-44)72(50-13-5-2-6-14-50)54-30-34-70-62(42-54)58-16-8-10-18-68(58)76-70;1-3-13-37(14-4-1)59(49-21-11-19-43-41-17-7-9-23-51(41)63-57(43)49)39-25-27-53-47(33-39)45-29-35-30-46-48-34-40(26-28-54(48)62-56(46)32-36(35)31-55(45)61-53)60(38-15-5-2-6-16-38)50-22-12-20-44-42-18-8-10-24-52(42)64-58(44)50;1-3-11-37(12-4-1)59(41-19-23-45-43-15-7-9-17-55(43)63-57(45)33-41)39-21-25-51-49(31-39)47-27-35-28-48-50-32-40(22-26-52(50)62-54(48)30-36(35)29-53(47)61-51)60(38-13-5-2-6-14-38)42-20-24-46-44-16-8-10-18-56(44)64-58(46)34-42;1-3-11-37(12-4-1)53(40-24-26-48-44(32-40)41-15-7-9-17-47(41)54(48)38-13-5-2-6-14-38)39-22-19-33(20-23-39)34-21-25-43-46-28-35-27-45-42-16-8-10-18-49(42)55-51(45)30-36(35)31-52(46)56-50(43)29-34/h1-42H;2*1-34H;1-32H.
What are the key properties of N-[4-[19-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaen-7-yl]phenyl]-N-phenyldibenzothiophen-2-amine;6-N,20-N-di(dibenzofuran-4-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;6-N,20-N-di(dibenzothiophen-3-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;N-[4-(10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]-N,9-diphenylcarbazol-3-amine?
N-[4-[19-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaen-7-yl]phenyl]-N-phenyldibenzothiophen-2-amine;6-N,20-N-di(dibenzofuran-4-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;6-N,20-N-di(dibenzothiophen-3-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;N-[4-(10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]-N,9-diphenylcarbazol-3-amine has a molecular weight of 3402.07 g/mol, XLogP of 72.21, 25 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[19-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaen-7-yl]phenyl]-N-phenyldibenzothiophen-2-amine;6-N,20-N-di(dibenzofuran-4-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;6-N,20-N-di(dibenzothiophen-3-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;N-[4-(10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 163670822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).