6-N,14-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;N-[3-[14-[3-(N-dibenzothiophen-4-ylanilino)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-6-yl]phenyl]-N-phenyldibenzothiophen-4-amine;6,14-di(carbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene

C242H168N12O4S2 — CID 162193758

IUPAC6-N,14-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;N-[3-[14-[3-(N-dibenzothiophen-4-ylanilino)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-6-yl]phenyl]-N-phenyldibenzothiophen-4-amine;6,14-di(carbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
SMILESCc1ccc2c(oc3c(C(C)(C)C)cccc32)c1N(c1ccccc1)c1cccc2c1c1cccc3c4c(N(c5ccccc5)c5c(C)ccc6c5oc5c(C(C)(C)C)cccc56)cccc4n2c13.Cc1ccccc1-c1cccc2c1oc1c(N(c3ccccc3)c3cccc4c3c3cccc5c6c(N(c7ccccc7)c7c(C)ccc8c7oc7c(-c9ccccc9C)cccc78)cccc6n4c35)c(C)ccc12.c1ccc(N(c2cccc(-c3cccc4c3c3cccc5c6c(-c7cccc(N(c8ccccc8)c8cccc9c8sc8ccccc89)c7)cccc6n4c35)c2)c2cccc3c2sc2ccccc23)cc1.c1ccc2c(c1)c1ccccc1n2-c1cccc2c1c1cccc3c4c(-n5c6ccccc6c6ccccc65)cccc4n2c13
InChIInChI=1S/C70H49N3O2.C66H41N3S2.C64H53N3O2.C42H25N3/c1-42-20-11-13-26-48(42)50-28-15-30-52-54-40-38-44(3)64(69(54)74-67(50)52)71(46-22-7-5-8-23-46)58-34-18-36-60-62(58)56-32-17-33-57-63-59(35-19-37-61(63)73(60)66(56)57)72(47-24-9-6-10-25-47)65-45(4)39-41-55-53-31-16-29-51(68(53)75-70(55)65)49-27-14-12-21-43(49)2;1-3-20-44(21-4-1)67(58-36-16-30-52-50-26-7-9-38-60(50)70-65(52)58)46-24-11-18-42(40-46)48-28-14-34-56-62(48)54-32-13-33-55-63-49(29-15-35-57(63)69(56)64(54)55)43-19-12-25-47(41-43)68(45-22-5-2-6-23-45)59-37-17-31-53-51-27-8-10-39-61(51)71-66(53)59;1-38-34-36-44-42-24-16-28-48(63(3,4)5)59(42)68-61(44)56(38)65(40-20-11-9-12-21-40)50-30-18-32-52-54(50)46-26-15-27-47-55-51(31-19-33-53(55)67(52)58(46)47)66(41-22-13-10-14-23-41)57-39(2)35-37-45-43-25-17-29-49(64(6,7)8)60(43)69-62(45)57;1-5-18-32-26(12-1)27-13-2-6-19-33(27)43(32)36-22-10-24-38-40(36)30-16-9-17-31-41-37(23-11-25-39(41)45(38)42(30)31)44-34-20-7-3-14-28(34)29-15-4-8-21-35(29)44/h5-41H,1-4H3;1-41H;9-37H,1-8H3;1-25H
InChIKeyZQQYBEFPBAQGND-UHFFFAOYSA-N
MW3372.22 g/mol
LogP69.81
Rot. Bonds24

About 6-N,14-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;N-[3-[14-[3-(N-dibenzothiophen-4-ylanilino)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-6-yl]phenyl]-N-phenyldibenzothiophen-4-amine;6,14-di(carbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene

6-N,14-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;N-[3-[14-[3-(N-dibenzothiophen-4-ylanilino)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-6-yl]phenyl]-N-phenyldibenzothiophen-4-amine;6,14-di(carbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene (PubChem CID 162193758) has the molecular formula C242H168N12O4S2 and a molecular weight of 3372.22 g/mol. Its IUPAC name is 6-N,14-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;N-[3-[14-[3-(N-dibenzothiophen-4-ylanilino)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-6-yl]phenyl]-N-phenyldibenzothiophen-4-amine;6,14-di(carbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene.

Molecular Properties

Compound Name6-N,14-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;N-[3-[14-[3-(N-dibenzothiophen-4-ylanilino)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-6-yl]phenyl]-N-phenyldibenzothiophen-4-amine;6,14-di(carbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
PubChem CID162193758
Molecular FormulaC242H168N12O4S2
Molecular Weight3372.22 g/mol
Exact Mass3369.28
IUPAC Name6-N,14-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;N-[3-[14-[3-(N-dibenzothiophen-4-ylanilino)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-6-yl]phenyl]-N-phenyldibenzothiophen-4-amine;6,14-di(carbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
SMILESCc1ccc2c(oc3c(C(C)(C)C)cccc32)c1N(c1ccccc1)c1cccc2c1c1cccc3c4c(N(c5ccccc5)c5c(C)ccc6c5oc5c(C(C)(C)C)cccc56)cccc4n2c13.Cc1ccccc1-c1cccc2c1oc1c(N(c3ccccc3)c3cccc4c3c3cccc5c6c(N(c7ccccc7)c7c(C)ccc8c7oc7c(-c9ccccc9C)cccc78)cccc6n4c35)c(C)ccc12.c1ccc(N(c2cccc(-c3cccc4c3c3cccc5c6c(-c7cccc(N(c8ccccc8)c8cccc9c8sc8ccccc89)c7)cccc6n4c35)c2)c2cccc3c2sc2ccccc23)cc1.c1ccc2c(c1)c1ccccc1n2-c1cccc2c1c1cccc3c4c(-n5c6ccccc6c6ccccc65)cccc4n2c13
InChIInChI=1S/C70H49N3O2.C66H41N3S2.C64H53N3O2.C42H25N3/c1-42-20-11-13-26-48(42)50-28-15-30-52-54-40-38-44(3)64(69(54)74-67(50)52)71(46-22-7-5-8-23-46)58-34-18-36-60-62(58)56-32-17-33-57-63-59(35-19-37-61(63)73(60)66(56)57)72(47-24-9-6-10-25-47)65-45(4)39-41-55-53-31-16-29-51(68(53)75-70(55)65)49-27-14-12-21-43(49)2;1-3-20-44(21-4-1)67(58-36-16-30-52-50-26-7-9-38-60(50)70-65(52)58)46-24-11-18-42(40-46)48-28-14-34-56-62(48)54-32-13-33-55-63-49(29-15-35-57(63)69(56)64(54)55)43-19-12-25-47(41-43)68(45-22-5-2-6-23-45)59-37-17-31-53-51-27-8-10-39-61(51)71-66(53)59;1-38-34-36-44-42-24-16-28-48(63(3,4)5)59(42)68-61(44)56(38)65(40-20-11-9-12-21-40)50-30-18-32-52-54(50)46-26-15-27-47-55-51(31-19-33-53(55)67(52)58(46)47)66(41-22-13-10-14-23-41)57-39(2)35-37-45-43-25-17-29-49(64(6,7)8)60(43)69-62(45)57;1-5-18-32-26(12-1)27-13-2-6-19-33(27)43(32)36-22-10-24-38-40(36)30-16-9-17-31-41-37(23-11-25-39(41)45(38)42(30)31)44-34-20-7-3-14-28(34)29-15-4-8-21-35(29)44/h5-41H,1-4H3;1-41H;9-37H,1-8H3;1-25H
InChIKeyZQQYBEFPBAQGND-UHFFFAOYSA-N
XLogP69.81
TPSA99.50 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms260
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003372.22
LogP ≤ 569.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 6-N,14-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;N-[3-[14-[3-(N-dibenzothiophen-4-ylanilino)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-6-yl]phenyl]-N-phenyldibenzothiophen-4-amine;6,14-di(carbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene with MolForge

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Related Compounds

10-N,25-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-10-N,25-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine;10-N,25-N-bis(3-methyldibenzofuran-4-yl)-3,18-diphenyl-10-N,25-N-bis(2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine;10-N,25-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-10-N,25-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine;methane
CID 163756535
8-N,23-N-bis(3-methyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;N-[4-[23-[4-(N-dibenzothiophen-4-ylanilino)phenyl]-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 159421757
4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-4-yldibenzofuran-1-amine
CID 176608288
10-N,25-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-10-N,25-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine
CID 138745580
10-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-10-N,18-N-bis(2-methyl-5-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,18-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N-dibenzofuran-4-yl-10-N,18-N-bis(2-methyl-5-phenylphenyl)-18-N-(6-phenyldibenzofuran-4-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,18-N-di(dibenzothiophen-2-yl)-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine
CID 158772076
4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-3-methyl-N-(4-phenylphenyl)aniline
CID 145354452
3-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118086690
14,24,29-tritert-butyl-N-(3-methyl-6-phenyldibenzofuran-4-yl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine
CID 138745365
N-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine;bis(N-dibenzofuran-4-yl-6-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine);N-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine
CID 165040530
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 164790828
N-(3-dibenzothiophen-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 170666339
N-[3-[25-[3-(N-dibenzofuran-4-ylanilino)phenyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-10-yl]phenyl]-N-phenyldibenzofuran-4-amine
CID 138745135

Frequently Asked Questions

What is the IUPAC name of 6-N,14-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;N-[3-[14-[3-(N-dibenzothiophen-4-ylanilino)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-6-yl]phenyl]-N-phenyldibenzothiophen-4-amine;6,14-di(carbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene?
The IUPAC name of 6-N,14-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;N-[3-[14-[3-(N-dibenzothiophen-4-ylanilino)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-6-yl]phenyl]-N-phenyldibenzothiophen-4-amine;6,14-di(carbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene (CID 162193758) is 6-N,14-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;N-[3-[14-[3-(N-dibenzothiophen-4-ylanilino)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-6-yl]phenyl]-N-phenyldibenzothiophen-4-amine;6,14-di(carbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene.
What is the SMILES notation for 6-N,14-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;N-[3-[14-[3-(N-dibenzothiophen-4-ylanilino)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-6-yl]phenyl]-N-phenyldibenzothiophen-4-amine;6,14-di(carbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene?
The canonical SMILES for 6-N,14-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;N-[3-[14-[3-(N-dibenzothiophen-4-ylanilino)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-6-yl]phenyl]-N-phenyldibenzothiophen-4-amine;6,14-di(carbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene is Cc1ccc2c(oc3c(C(C)(C)C)cccc32)c1N(c1ccccc1)c1cccc2c1c1cccc3c4c(N(c5ccccc5)c5c(C)ccc6c5oc5c(C(C)(C)C)cccc56)cccc4n2c13.Cc1ccccc1-c1cccc2c1oc1c(N(c3ccccc3)c3cccc4c3c3cccc5c6c(N(c7ccccc7)c7c(C)ccc8c7oc7c(-c9ccccc9C)cccc78)cccc6n4c35)c(C)ccc12.c1ccc(N(c2cccc(-c3cccc4c3c3cccc5c6c(-c7cccc(N(c8ccccc8)c8cccc9c8sc8ccccc89)c7)cccc6n4c35)c2)c2cccc3c2sc2ccccc23)cc1.c1ccc2c(c1)c1ccccc1n2-c1cccc2c1c1cccc3c4c(-n5c6ccccc6c6ccccc65)cccc4n2c13.
What is the InChIKey of 6-N,14-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;N-[3-[14-[3-(N-dibenzothiophen-4-ylanilino)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-6-yl]phenyl]-N-phenyldibenzothiophen-4-amine;6,14-di(carbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene?
The InChIKey is ZQQYBEFPBAQGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H49N3O2.C66H41N3S2.C64H53N3O2.C42H25N3/c1-42-20-11-13-26-48(42)50-28-15-30-52-54-40-38-44(3)64(69(54)74-67(50)52)71(46-22-7-5-8-23-46)58-34-18-36-60-62(58)56-32-17-33-57-63-59(35-19-37-61(63)73(60)66(56)57)72(47-24-9-6-10-25-47)65-45(4)39-41-55-53-31-16-29-51(68(53)75-70(55)65)49-27-14-12-21-43(49)2;1-3-20-44(21-4-1)67(58-36-16-30-52-50-26-7-9-38-60(50)70-65(52)58)46-24-11-18-42(40-46)48-28-14-34-56-62(48)54-32-13-33-55-63-49(29-15-35-57(63)69(56)64(54)55)43-19-12-25-47(41-43)68(45-22-5-2-6-23-45)59-37-17-31-53-51-27-8-10-39-61(51)71-66(53)59;1-38-34-36-44-42-24-16-28-48(63(3,4)5)59(42)68-61(44)56(38)65(40-20-11-9-12-21-40)50-30-18-32-52-54(50)46-26-15-27-47-55-51(31-19-33-53(55)67(52)58(46)47)66(41-22-13-10-14-23-41)57-39(2)35-37-45-43-25-17-29-49(64(6,7)8)60(43)69-62(45)57;1-5-18-32-26(12-1)27-13-2-6-19-33(27)43(32)36-22-10-24-38-40(36)30-16-9-17-31-41-37(23-11-25-39(41)45(38)42(30)31)44-34-20-7-3-14-28(34)29-15-4-8-21-35(29)44/h5-41H,1-4H3;1-41H;9-37H,1-8H3;1-25H.
What are the key properties of 6-N,14-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;N-[3-[14-[3-(N-dibenzothiophen-4-ylanilino)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-6-yl]phenyl]-N-phenyldibenzothiophen-4-amine;6,14-di(carbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene?
6-N,14-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;N-[3-[14-[3-(N-dibenzothiophen-4-ylanilino)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-6-yl]phenyl]-N-phenyldibenzothiophen-4-amine;6,14-di(carbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene has a molecular weight of 3372.22 g/mol, XLogP of 69.81, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,14-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;N-[3-[14-[3-(N-dibenzothiophen-4-ylanilino)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-6-yl]phenyl]-N-phenyldibenzothiophen-4-amine;6,14-di(carbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene is sourced from PubChem (CID 162193758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).