6-dibenzofuran-2-yl-24-dibenzothiophen-2-yl-N,N-diphenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine;4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]phenyl]-N,4-diphenylaniline;N,6,24-tri(dibenzofuran-2-yl)-N-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine

C252H150N12O8S3 — CID 159146992

IUPAC6-dibenzofuran-2-yl-24-dibenzothiophen-2-yl-N,N-diphenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine;4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]phenyl]-N,4-diphenylaniline;N,6,24-tri(dibenzofuran-2-yl)-N-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-n5c6ccccc6c6c7sc8c(ccc9c8c8ccccc8n9-c8ccc9oc%10ccccc%10c9c8)c7ccc65)cc4)cc3)cc2)cc1.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cc3c(c4ccccc4n3-c3ccc4oc5ccccc5c4c3)c3oc4c(ccc5c4c4ccccc4n5-c4ccc5oc6ccccc6c5c4)c23)cc1.c1ccc(N(c2ccccc2)c2cc3c(c4ccccc4n3-c3ccc4oc5ccccc5c4c3)c3oc4c(ccc5c4c4ccccc4n5-c4ccc5sc6ccccc6c5c4)c23)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-n4c5ccccc5c5c6sc7c(ccc8c7c7ccccc7n8-c7ccc8oc9ccccc9c8c7)c6ccc54)cc3)cc2)cc1
InChIInChI=1S/C66H37N3O4.C66H41N3OS.C60H35N3O2S.C60H37N3OS/c1-2-14-38(15-3-1)67(39-26-31-59-48(34-39)42-16-6-11-23-56(42)70-59)54-37-55-63(46-20-5-10-22-52(46)69(55)41-28-33-61-50(36-41)44-18-8-13-25-58(44)72-61)66-64(54)47-29-30-53-62(65(47)73-66)45-19-4-9-21-51(45)68(53)40-27-32-60-49(35-40)43-17-7-12-24-57(43)71-60;1-3-13-42(14-4-1)43-23-29-47(30-24-43)67(46-15-5-2-6-16-46)48-31-25-44(26-32-48)45-27-33-49(34-28-45)68-57-20-10-7-18-54(57)63-59(68)38-36-52-53-37-39-60-64(66(53)71-65(52)63)55-19-8-11-21-58(55)69(60)50-35-40-62-56(41-50)51-17-9-12-22-61(51)70-62;1-3-15-36(16-4-1)61(37-17-5-2-6-18-37)50-35-51-57(43-22-8-12-24-48(43)63(51)38-27-31-53-45(33-38)40-19-9-13-25-52(40)64-53)60-58(50)44-29-30-49-56(59(44)65-60)42-21-7-11-23-47(42)62(49)39-28-32-55-46(34-39)41-20-10-14-26-54(41)66-55;1-3-13-40(14-4-1)61(41-15-5-2-6-16-41)42-27-23-38(24-28-42)39-25-29-43(30-26-39)62-51-20-10-7-18-48(51)57-53(62)34-32-46-47-33-35-54-58(60(47)65-59(46)57)49-19-8-11-21-52(49)63(54)44-31-36-56-50(37-44)45-17-9-12-22-55(45)64-56/h1-37H;1-41H;1-35H;1-37H
InChIKeyKIUPPNKYDKVNPN-UHFFFAOYSA-N
MW3570.25 g/mol
LogP72.70
Rot. Bonds23

About 6-dibenzofuran-2-yl-24-dibenzothiophen-2-yl-N,N-diphenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine;4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]phenyl]-N,4-diphenylaniline;N,6,24-tri(dibenzofuran-2-yl)-N-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine

6-dibenzofuran-2-yl-24-dibenzothiophen-2-yl-N,N-diphenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine;4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]phenyl]-N,4-diphenylaniline;N,6,24-tri(dibenzofuran-2-yl)-N-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine (PubChem CID 159146992) has the molecular formula C252H150N12O8S3 and a molecular weight of 3570.25 g/mol. Its IUPAC name is 6-dibenzofuran-2-yl-24-dibenzothiophen-2-yl-N,N-diphenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine;4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]phenyl]-N,4-diphenylaniline;N,6,24-tri(dibenzofuran-2-yl)-N-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine.

Molecular Properties

Compound Name6-dibenzofuran-2-yl-24-dibenzothiophen-2-yl-N,N-diphenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine;4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]phenyl]-N,4-diphenylaniline;N,6,24-tri(dibenzofuran-2-yl)-N-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine
PubChem CID159146992
Molecular FormulaC252H150N12O8S3
Molecular Weight3570.25 g/mol
Exact Mass3567.09
IUPAC Name6-dibenzofuran-2-yl-24-dibenzothiophen-2-yl-N,N-diphenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine;4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]phenyl]-N,4-diphenylaniline;N,6,24-tri(dibenzofuran-2-yl)-N-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-n5c6ccccc6c6c7sc8c(ccc9c8c8ccccc8n9-c8ccc9oc%10ccccc%10c9c8)c7ccc65)cc4)cc3)cc2)cc1.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cc3c(c4ccccc4n3-c3ccc4oc5ccccc5c4c3)c3oc4c(ccc5c4c4ccccc4n5-c4ccc5oc6ccccc6c5c4)c23)cc1.c1ccc(N(c2ccccc2)c2cc3c(c4ccccc4n3-c3ccc4oc5ccccc5c4c3)c3oc4c(ccc5c4c4ccccc4n5-c4ccc5sc6ccccc6c5c4)c23)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-n4c5ccccc5c5c6sc7c(ccc8c7c7ccccc7n8-c7ccc8oc9ccccc9c8c7)c6ccc54)cc3)cc2)cc1
InChIInChI=1S/C66H37N3O4.C66H41N3OS.C60H35N3O2S.C60H37N3OS/c1-2-14-38(15-3-1)67(39-26-31-59-48(34-39)42-16-6-11-23-56(42)70-59)54-37-55-63(46-20-5-10-22-52(46)69(55)41-28-33-61-50(36-41)44-18-8-13-25-58(44)72-61)66-64(54)47-29-30-53-62(65(47)73-66)45-19-4-9-21-51(45)68(53)40-27-32-60-49(35-40)43-17-7-12-24-57(43)71-60;1-3-13-42(14-4-1)43-23-29-47(30-24-43)67(46-15-5-2-6-16-46)48-31-25-44(26-32-48)45-27-33-49(34-28-45)68-57-20-10-7-18-54(57)63-59(68)38-36-52-53-37-39-60-64(66(53)71-65(52)63)55-19-8-11-21-58(55)69(60)50-35-40-62-56(41-50)51-17-9-12-22-61(51)70-62;1-3-15-36(16-4-1)61(37-17-5-2-6-18-37)50-35-51-57(43-22-8-12-24-48(43)63(51)38-27-31-53-45(33-38)40-19-9-13-25-52(40)64-53)60-58(50)44-29-30-49-56(59(44)65-60)42-21-7-11-23-47(42)62(49)39-28-32-55-46(34-39)41-20-10-14-26-54(41)66-55;1-3-13-40(14-4-1)61(41-15-5-2-6-16-41)42-27-23-38(24-28-42)39-25-29-43(30-26-39)62-51-20-10-7-18-48(51)57-53(62)34-32-46-47-33-35-54-58(60(47)65-59(46)57)49-19-8-11-21-52(49)63(54)44-31-36-56-50(37-44)45-17-9-12-22-55(45)64-56/h1-37H;1-41H;1-35H;1-37H
InChIKeyKIUPPNKYDKVNPN-UHFFFAOYSA-N
XLogP72.70
TPSA157.52 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds23
Heavy Atoms275
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003570.25
LogP ≤ 572.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 6-dibenzofuran-2-yl-24-dibenzothiophen-2-yl-N,N-diphenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine;4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]phenyl]-N,4-diphenylaniline;N,6,24-tri(dibenzofuran-2-yl)-N-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine with MolForge

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Related Compounds

N-dibenzofuran-2-yl-N-[4-(24-dibenzofuran-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]dibenzofuran-2-amine;N-dibenzothiophen-2-yl-N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]dibenzothiophen-2-amine;N-[4-[20,24-di(dibenzofuran-2-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18(23),19,21,26-dodecaen-6-yl]phenyl]-N,4-diphenylaniline;N,N-diphenyl-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)aniline;N,N-diphenyl-4-[3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]aniline
CID 160712701
N-[4-[6-[4-(N-dibenzofuran-2-ylanilino)phenyl]-9-dibenzothiophen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine
CID 149148527
9-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylcarbazol-2-amine
CID 118333340
N,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine
CID 163596548
N-[3-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 118462722
9-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzothiophen-2-yl]carbazole;9-[7-(7-carbazol-9-yldibenzothiophen-3-yl)dibenzothiophen-3-yl]carbazole;9-[8-[8-[8-(8-carbazol-9-yldibenzothiophen-2-yl)dibenzothiophen-2-yl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole;8-(8-carbazol-9-yldibenzothiophen-2-yl)-N,N-diphenyldibenzothiophen-2-amine;N,N-diphenyl-8-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-2-amine;9-[8-(8-phenyldibenzothiophen-2-yl)dibenzothiophen-2-yl]carbazole
CID 159552400
N,N-diphenyl-8-[24-[8-(N-phenylanilino)dibenzofuran-2-yl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]dibenzofuran-2-amine
CID 118651781
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
N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 170368958
5-[3-(24-dibenzothiophen-4-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)-5-phenylphenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;5-[3-(24-dibenzothiophen-4-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;5-[4-(24-dibenzothiophen-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 162103171
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
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

Frequently Asked Questions

What is the IUPAC name of 6-dibenzofuran-2-yl-24-dibenzothiophen-2-yl-N,N-diphenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine;4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]phenyl]-N,4-diphenylaniline;N,6,24-tri(dibenzofuran-2-yl)-N-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine?
The IUPAC name of 6-dibenzofuran-2-yl-24-dibenzothiophen-2-yl-N,N-diphenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine;4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]phenyl]-N,4-diphenylaniline;N,6,24-tri(dibenzofuran-2-yl)-N-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine (CID 159146992) is 6-dibenzofuran-2-yl-24-dibenzothiophen-2-yl-N,N-diphenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine;4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]phenyl]-N,4-diphenylaniline;N,6,24-tri(dibenzofuran-2-yl)-N-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine.
What is the SMILES notation for 6-dibenzofuran-2-yl-24-dibenzothiophen-2-yl-N,N-diphenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine;4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]phenyl]-N,4-diphenylaniline;N,6,24-tri(dibenzofuran-2-yl)-N-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine?
The canonical SMILES for 6-dibenzofuran-2-yl-24-dibenzothiophen-2-yl-N,N-diphenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine;4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]phenyl]-N,4-diphenylaniline;N,6,24-tri(dibenzofuran-2-yl)-N-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-n5c6ccccc6c6c7sc8c(ccc9c8c8ccccc8n9-c8ccc9oc%10ccccc%10c9c8)c7ccc65)cc4)cc3)cc2)cc1.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cc3c(c4ccccc4n3-c3ccc4oc5ccccc5c4c3)c3oc4c(ccc5c4c4ccccc4n5-c4ccc5oc6ccccc6c5c4)c23)cc1.c1ccc(N(c2ccccc2)c2cc3c(c4ccccc4n3-c3ccc4oc5ccccc5c4c3)c3oc4c(ccc5c4c4ccccc4n5-c4ccc5sc6ccccc6c5c4)c23)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-n4c5ccccc5c5c6sc7c(ccc8c7c7ccccc7n8-c7ccc8oc9ccccc9c8c7)c6ccc54)cc3)cc2)cc1.
What is the InChIKey of 6-dibenzofuran-2-yl-24-dibenzothiophen-2-yl-N,N-diphenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine;4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]phenyl]-N,4-diphenylaniline;N,6,24-tri(dibenzofuran-2-yl)-N-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine?
The InChIKey is KIUPPNKYDKVNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H37N3O4.C66H41N3OS.C60H35N3O2S.C60H37N3OS/c1-2-14-38(15-3-1)67(39-26-31-59-48(34-39)42-16-6-11-23-56(42)70-59)54-37-55-63(46-20-5-10-22-52(46)69(55)41-28-33-61-50(36-41)44-18-8-13-25-58(44)72-61)66-64(54)47-29-30-53-62(65(47)73-66)45-19-4-9-21-51(45)68(53)40-27-32-60-49(35-40)43-17-7-12-24-57(43)71-60;1-3-13-42(14-4-1)43-23-29-47(30-24-43)67(46-15-5-2-6-16-46)48-31-25-44(26-32-48)45-27-33-49(34-28-45)68-57-20-10-7-18-54(57)63-59(68)38-36-52-53-37-39-60-64(66(53)71-65(52)63)55-19-8-11-21-58(55)69(60)50-35-40-62-56(41-50)51-17-9-12-22-61(51)70-62;1-3-15-36(16-4-1)61(37-17-5-2-6-18-37)50-35-51-57(43-22-8-12-24-48(43)63(51)38-27-31-53-45(33-38)40-19-9-13-25-52(40)64-53)60-58(50)44-29-30-49-56(59(44)65-60)42-21-7-11-23-47(42)62(49)39-28-32-55-46(34-39)41-20-10-14-26-54(41)66-55;1-3-13-40(14-4-1)61(41-15-5-2-6-16-41)42-27-23-38(24-28-42)39-25-29-43(30-26-39)62-51-20-10-7-18-48(51)57-53(62)34-32-46-47-33-35-54-58(60(47)65-59(46)57)49-19-8-11-21-52(49)63(54)44-31-36-56-50(37-44)45-17-9-12-22-55(45)64-56/h1-37H;1-41H;1-35H;1-37H.
What are the key properties of 6-dibenzofuran-2-yl-24-dibenzothiophen-2-yl-N,N-diphenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine;4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]phenyl]-N,4-diphenylaniline;N,6,24-tri(dibenzofuran-2-yl)-N-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine?
6-dibenzofuran-2-yl-24-dibenzothiophen-2-yl-N,N-diphenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine;4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]phenyl]-N,4-diphenylaniline;N,6,24-tri(dibenzofuran-2-yl)-N-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine has a molecular weight of 3570.25 g/mol, XLogP of 72.70, 23 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzofuran-2-yl-24-dibenzothiophen-2-yl-N,N-diphenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine;4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(24-dibenzofuran-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]phenyl]-N,4-diphenylaniline;N,6,24-tri(dibenzofuran-2-yl)-N-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2,4,7,9,11,13,17(25),18,20,22,26-dodecaen-3-amine is sourced from PubChem (CID 159146992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).