4-tert-butyl-N-dibenzofuran-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)pyridin-2-amine;6-(4-tert-butylphenyl)-N-dibenzofuran-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-phenyl-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-dodecaen-20-amine;N-dibenzothiophen-4-yl-N-(4-pyrimidin-5-ylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine;N-dibenzothiophen-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-2-amine;N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-4-amine

C296H184N12O7S7 — CID 157293260

IUPAC4-tert-butyl-N-dibenzofuran-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)pyridin-2-amine;6-(4-tert-butylphenyl)-N-dibenzofuran-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-phenyl-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-dodecaen-20-amine;N-dibenzothiophen-4-yl-N-(4-pyrimidin-5-ylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine;N-dibenzothiophen-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-2-amine;N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-4-amine
SMILESCC(C)(C)c1ccc(-c2cccc3c2oc2ccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5c6ccccc6c6cc7sc8ccccc8c7cc6c5c4)cc23)cc1.CC(C)(C)c1ccnc(N(c2ccc3oc4ccccc4c3c2)c2ccc3c4ccccc4c4cc5sc6ccccc6c5cc4c3c2)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N(c4ccc5c6ccccc6c6cc7sc8ccccc8c7cc6c5c4)c4cccc5c4oc4ccccc45)cc3)n2)cc1.c1ccc(N(c2ccc3c(c2)oc2cc4c5ccccc5c5ccccc5c4cc23)c2cccc3c2sc2ccccc23)cc1.c1ccc2c(c1)oc1cc3c4ccccc4c4cc(N(c5ccc(-c6cncnc6)cc5)c5cccc6c5sc5ccccc56)ccc4c3cc12.c1ccc2c(c1)oc1ccc(N(c3ccc4sc5ccccc5c4c3)c3ccc4c5ccccc5c5cc6sc7ccccc7c6cc5c4c3)cc12
InChIInChI=1S/C58H39NO2S.C57H34N4OS.C48H27NOS2.C46H27N3OS.C45H32N2OS.C42H25NOS/c1-58(2,3)35-21-19-34(20-22-35)39-15-10-16-45-50-31-38(25-28-54(50)61-57(39)45)59(37-24-27-53-49(30-37)43-13-6-8-17-52(43)60-53)36-23-26-42-40-11-4-5-12-41(40)48-33-56-51(32-47(48)46(42)29-36)44-14-7-9-18-55(44)62-56;1-3-14-35(15-4-1)55-58-56(36-16-5-2-6-17-36)60-57(59-55)37-26-28-38(29-27-37)61(50-23-13-22-45-43-20-9-11-24-51(43)62-54(45)50)39-30-31-42-40-18-7-8-19-41(40)48-34-53-49(33-47(48)46(42)32-39)44-21-10-12-25-52(44)63-53;1-2-10-32-31(9-1)33-20-17-28(23-37(33)38-26-42-36-13-5-8-16-46(36)52-48(42)27-39(32)38)49(29-18-21-44-40(24-29)34-11-3-6-14-43(34)50-44)30-19-22-47-41(25-30)35-12-4-7-15-45(35)51-47;1-2-9-33-32(8-1)38-22-31(20-21-34(38)39-23-41-35-10-3-5-14-43(35)50-44(41)24-40(33)39)49(30-18-16-28(17-19-30)29-25-47-27-48-26-29)42-13-7-12-37-36-11-4-6-15-45(36)51-46(37)42;1-45(2,3)27-20-21-46-44(22-27)47(29-17-19-41-38(24-29)33-12-6-8-14-40(33)48-41)28-16-18-32-30-10-4-5-11-31(30)37-26-43-39(25-36(37)35(32)23-28)34-13-7-9-15-42(34)49-43;1-2-11-26(12-3-1)43(38-19-10-18-34-33-17-8-9-20-41(33)45-42(34)38)27-21-22-32-37-24-35-30-15-6-4-13-28(30)29-14-5-7-16-31(29)36(35)25-40(37)44-39(32)23-27/h4-33H,1-3H3;1-34H;1-27H;1-27H;4-26H,1-3H3;1-25H
InChIKeyBBAYFRUELMJFET-UHFFFAOYSA-N
MW4245.27 g/mol
LogP88.87
Rot. Bonds23

About 4-tert-butyl-N-dibenzofuran-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)pyridin-2-amine;6-(4-tert-butylphenyl)-N-dibenzofuran-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-phenyl-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-dodecaen-20-amine;N-dibenzothiophen-4-yl-N-(4-pyrimidin-5-ylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine;N-dibenzothiophen-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-2-amine;N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-4-amine

4-tert-butyl-N-dibenzofuran-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)pyridin-2-amine;6-(4-tert-butylphenyl)-N-dibenzofuran-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-phenyl-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-dodecaen-20-amine;N-dibenzothiophen-4-yl-N-(4-pyrimidin-5-ylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine;N-dibenzothiophen-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-2-amine;N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-4-amine (PubChem CID 157293260) has the molecular formula C296H184N12O7S7 and a molecular weight of 4245.27 g/mol. Its IUPAC name is 4-tert-butyl-N-dibenzofuran-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)pyridin-2-amine;6-(4-tert-butylphenyl)-N-dibenzofuran-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-phenyl-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-dodecaen-20-amine;N-dibenzothiophen-4-yl-N-(4-pyrimidin-5-ylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine;N-dibenzothiophen-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-2-amine;N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-4-amine.

Molecular Properties

Compound Name4-tert-butyl-N-dibenzofuran-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)pyridin-2-amine;6-(4-tert-butylphenyl)-N-dibenzofuran-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-phenyl-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-dodecaen-20-amine;N-dibenzothiophen-4-yl-N-(4-pyrimidin-5-ylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine;N-dibenzothiophen-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-2-amine;N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-4-amine
PubChem CID157293260
Molecular FormulaC296H184N12O7S7
Molecular Weight4245.27 g/mol
Exact Mass4241.25
IUPAC Name4-tert-butyl-N-dibenzofuran-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)pyridin-2-amine;6-(4-tert-butylphenyl)-N-dibenzofuran-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-phenyl-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-dodecaen-20-amine;N-dibenzothiophen-4-yl-N-(4-pyrimidin-5-ylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine;N-dibenzothiophen-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-2-amine;N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-4-amine
SMILESCC(C)(C)c1ccc(-c2cccc3c2oc2ccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5c6ccccc6c6cc7sc8ccccc8c7cc6c5c4)cc23)cc1.CC(C)(C)c1ccnc(N(c2ccc3oc4ccccc4c3c2)c2ccc3c4ccccc4c4cc5sc6ccccc6c5cc4c3c2)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N(c4ccc5c6ccccc6c6cc7sc8ccccc8c7cc6c5c4)c4cccc5c4oc4ccccc45)cc3)n2)cc1.c1ccc(N(c2ccc3c(c2)oc2cc4c5ccccc5c5ccccc5c4cc23)c2cccc3c2sc2ccccc23)cc1.c1ccc2c(c1)oc1cc3c4ccccc4c4cc(N(c5ccc(-c6cncnc6)cc5)c5cccc6c5sc5ccccc56)ccc4c3cc12.c1ccc2c(c1)oc1ccc(N(c3ccc4sc5ccccc5c4c3)c3ccc4c5ccccc5c5cc6sc7ccccc7c6cc5c4c3)cc12
InChIInChI=1S/C58H39NO2S.C57H34N4OS.C48H27NOS2.C46H27N3OS.C45H32N2OS.C42H25NOS/c1-58(2,3)35-21-19-34(20-22-35)39-15-10-16-45-50-31-38(25-28-54(50)61-57(39)45)59(37-24-27-53-49(30-37)43-13-6-8-17-52(43)60-53)36-23-26-42-40-11-4-5-12-41(40)48-33-56-51(32-47(48)46(42)29-36)44-14-7-9-18-55(44)62-56;1-3-14-35(15-4-1)55-58-56(36-16-5-2-6-17-36)60-57(59-55)37-26-28-38(29-27-37)61(50-23-13-22-45-43-20-9-11-24-51(43)62-54(45)50)39-30-31-42-40-18-7-8-19-41(40)48-34-53-49(33-47(48)46(42)32-39)44-21-10-12-25-52(44)63-53;1-2-10-32-31(9-1)33-20-17-28(23-37(33)38-26-42-36-13-5-8-16-46(36)52-48(42)27-39(32)38)49(29-18-21-44-40(24-29)34-11-3-6-14-43(34)50-44)30-19-22-47-41(25-30)35-12-4-7-15-45(35)51-47;1-2-9-33-32(8-1)38-22-31(20-21-34(38)39-23-41-35-10-3-5-14-43(35)50-44(41)24-40(33)39)49(30-18-16-28(17-19-30)29-25-47-27-48-26-29)42-13-7-12-37-36-11-4-6-15-45(36)51-46(37)42;1-45(2,3)27-20-21-46-44(22-27)47(29-17-19-41-38(24-29)33-12-6-8-14-40(33)48-41)28-16-18-32-30-10-4-5-11-31(30)37-26-43-39(25-36(37)35(32)23-28)34-13-7-9-15-42(34)49-43;1-2-11-26(12-3-1)43(38-19-10-18-34-33-17-8-9-20-41(33)45-42(34)38)27-21-22-32-37-24-35-30-15-6-4-13-28(30)29-14-5-7-16-31(29)36(35)25-40(37)44-39(32)23-27/h4-33H,1-3H3;1-34H;1-27H;1-27H;4-26H,1-3H3;1-25H
InChIKeyBBAYFRUELMJFET-UHFFFAOYSA-N
XLogP88.87
TPSA188.76 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms322
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004245.27
LogP ≤ 588.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 4-tert-butyl-N-dibenzofuran-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)pyridin-2-amine;6-(4-tert-butylphenyl)-N-dibenzofuran-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-phenyl-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-dodecaen-20-amine;N-dibenzothiophen-4-yl-N-(4-pyrimidin-5-ylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine;N-dibenzothiophen-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-2-amine;N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-4-amine with MolForge

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Related Compounds

5-N,21-N-bis(4-tert-butyl-2-pyridinyl)-5-N,21-N-di(dibenzofuran-2-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;N-dibenzothiophen-4-yl-N-phenyl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine;5-N,21-N-di(dibenzofuran-2-yl)-5-N,21-N-di(dibenzothiophen-2-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;5-N,21-N-di(dibenzothiophen-4-yl)-5-N,21-N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;5-N,21-N-di(dibenzothiophen-4-yl)-5-N,21-N-bis(4-pyrimidin-5-ylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine
CID 160648573
N-dibenzothiophen-4-yl-N-(4-pyrimidin-5-ylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-amine
CID 146494521
5-N-dibenzothiophen-2-yl-19-N-dibenzothiophen-4-yl-5-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-19-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,19-diamine
CID 146494364
N-dibenzothiophen-4-yl-N-(4-pyrimidin-5-ylphenyl)-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-dodecaen-19-amine
CID 146494552
7-N-dibenzofuran-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N-(4-naphthalen-1-ylphenyl)-2-N-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 167608369
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzofuran-2-amine;N,N-di(dibenzofuran-3-yl)dibenzofuran-3-amine;N,N-di(dibenzothiophen-3-yl)dibenzothiophen-3-amine;N,N-di(dibenzothiophen-4-yl)dibenzothiophen-4-amine
CID 158783151
5-N-dibenzofuran-3-yl-18-N-dibenzofuran-4-yl-5-N,18-N-bis(2-phenylphenyl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N-dibenzofuran-3-yl-18-N-dibenzofuran-4-yl-5-N-phenyl-18-N-(2-phenylphenyl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;18-N-dibenzofuran-4-yl-5-N-dibenzothiophen-2-yl-5-N,18-N-bis(2-phenylphenyl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 158660183
N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 170096072
5-N,19-N-bis[3-(4-tert-butylphenyl)phenyl]-5-N,19-N-bis(6-pyridin-2-yldibenzothiophen-2-yl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,19-diamine
CID 146494371
N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine
CID 161104445
N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine
CID 160591901
N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-amine
CID 167396373

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-dibenzofuran-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)pyridin-2-amine;6-(4-tert-butylphenyl)-N-dibenzofuran-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-phenyl-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-dodecaen-20-amine;N-dibenzothiophen-4-yl-N-(4-pyrimidin-5-ylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine;N-dibenzothiophen-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-2-amine;N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-4-amine?
The IUPAC name of 4-tert-butyl-N-dibenzofuran-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)pyridin-2-amine;6-(4-tert-butylphenyl)-N-dibenzofuran-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-phenyl-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-dodecaen-20-amine;N-dibenzothiophen-4-yl-N-(4-pyrimidin-5-ylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine;N-dibenzothiophen-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-2-amine;N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-4-amine (CID 157293260) is 4-tert-butyl-N-dibenzofuran-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)pyridin-2-amine;6-(4-tert-butylphenyl)-N-dibenzofuran-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-phenyl-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-dodecaen-20-amine;N-dibenzothiophen-4-yl-N-(4-pyrimidin-5-ylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine;N-dibenzothiophen-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-2-amine;N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-4-amine.
What is the SMILES notation for 4-tert-butyl-N-dibenzofuran-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)pyridin-2-amine;6-(4-tert-butylphenyl)-N-dibenzofuran-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-phenyl-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-dodecaen-20-amine;N-dibenzothiophen-4-yl-N-(4-pyrimidin-5-ylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine;N-dibenzothiophen-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-2-amine;N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-4-amine?
The canonical SMILES for 4-tert-butyl-N-dibenzofuran-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)pyridin-2-amine;6-(4-tert-butylphenyl)-N-dibenzofuran-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-phenyl-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-dodecaen-20-amine;N-dibenzothiophen-4-yl-N-(4-pyrimidin-5-ylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine;N-dibenzothiophen-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-2-amine;N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-4-amine is CC(C)(C)c1ccc(-c2cccc3c2oc2ccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5c6ccccc6c6cc7sc8ccccc8c7cc6c5c4)cc23)cc1.CC(C)(C)c1ccnc(N(c2ccc3oc4ccccc4c3c2)c2ccc3c4ccccc4c4cc5sc6ccccc6c5cc4c3c2)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N(c4ccc5c6ccccc6c6cc7sc8ccccc8c7cc6c5c4)c4cccc5c4oc4ccccc45)cc3)n2)cc1.c1ccc(N(c2ccc3c(c2)oc2cc4c5ccccc5c5ccccc5c4cc23)c2cccc3c2sc2ccccc23)cc1.c1ccc2c(c1)oc1cc3c4ccccc4c4cc(N(c5ccc(-c6cncnc6)cc5)c5cccc6c5sc5ccccc56)ccc4c3cc12.c1ccc2c(c1)oc1ccc(N(c3ccc4sc5ccccc5c4c3)c3ccc4c5ccccc5c5cc6sc7ccccc7c6cc5c4c3)cc12.
What is the InChIKey of 4-tert-butyl-N-dibenzofuran-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)pyridin-2-amine;6-(4-tert-butylphenyl)-N-dibenzofuran-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-phenyl-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-dodecaen-20-amine;N-dibenzothiophen-4-yl-N-(4-pyrimidin-5-ylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine;N-dibenzothiophen-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-2-amine;N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-4-amine?
The InChIKey is BBAYFRUELMJFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO2S.C57H34N4OS.C48H27NOS2.C46H27N3OS.C45H32N2OS.C42H25NOS/c1-58(2,3)35-21-19-34(20-22-35)39-15-10-16-45-50-31-38(25-28-54(50)61-57(39)45)59(37-24-27-53-49(30-37)43-13-6-8-17-52(43)60-53)36-23-26-42-40-11-4-5-12-41(40)48-33-56-51(32-47(48)46(42)29-36)44-14-7-9-18-55(44)62-56;1-3-14-35(15-4-1)55-58-56(36-16-5-2-6-17-36)60-57(59-55)37-26-28-38(29-27-37)61(50-23-13-22-45-43-20-9-11-24-51(43)62-54(45)50)39-30-31-42-40-18-7-8-19-41(40)48-34-53-49(33-47(48)46(42)32-39)44-21-10-12-25-52(44)63-53;1-2-10-32-31(9-1)33-20-17-28(23-37(33)38-26-42-36-13-5-8-16-46(36)52-48(42)27-39(32)38)49(29-18-21-44-40(24-29)34-11-3-6-14-43(34)50-44)30-19-22-47-41(25-30)35-12-4-7-15-45(35)51-47;1-2-9-33-32(8-1)38-22-31(20-21-34(38)39-23-41-35-10-3-5-14-43(35)50-44(41)24-40(33)39)49(30-18-16-28(17-19-30)29-25-47-27-48-26-29)42-13-7-12-37-36-11-4-6-15-45(36)51-46(37)42;1-45(2,3)27-20-21-46-44(22-27)47(29-17-19-41-38(24-29)33-12-6-8-14-40(33)48-41)28-16-18-32-30-10-4-5-11-31(30)37-26-43-39(25-36(37)35(32)23-28)34-13-7-9-15-42(34)49-43;1-2-11-26(12-3-1)43(38-19-10-18-34-33-17-8-9-20-41(33)45-42(34)38)27-21-22-32-37-24-35-30-15-6-4-13-28(30)29-14-5-7-16-31(29)36(35)25-40(37)44-39(32)23-27/h4-33H,1-3H3;1-34H;1-27H;1-27H;4-26H,1-3H3;1-25H.
What are the key properties of 4-tert-butyl-N-dibenzofuran-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)pyridin-2-amine;6-(4-tert-butylphenyl)-N-dibenzofuran-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-phenyl-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-dodecaen-20-amine;N-dibenzothiophen-4-yl-N-(4-pyrimidin-5-ylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine;N-dibenzothiophen-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-2-amine;N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-4-amine?
4-tert-butyl-N-dibenzofuran-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)pyridin-2-amine;6-(4-tert-butylphenyl)-N-dibenzofuran-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-phenyl-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-dodecaen-20-amine;N-dibenzothiophen-4-yl-N-(4-pyrimidin-5-ylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine;N-dibenzothiophen-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-2-amine;N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-4-amine has a molecular weight of 4245.27 g/mol, XLogP of 88.87, 23 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-dibenzofuran-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)pyridin-2-amine;6-(4-tert-butylphenyl)-N-dibenzofuran-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-phenyl-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-dodecaen-20-amine;N-dibenzothiophen-4-yl-N-(4-pyrimidin-5-ylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine;N-dibenzothiophen-2-yl-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-2-amine;N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-11-yl)dibenzofuran-4-amine is sourced from PubChem (CID 157293260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).