N-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-dibenzothiophen-3-yl-N,22-diphenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-22-phenyl-N-(3-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-naphthalen-2-yl-22-phenyl-N-(4-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(4-phenylphenyl)-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]naphthalen-1-amine;N-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]dibenzothiophen-3-amine

C309H196N12OS8 — CID 158006340

IUPACN-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-dibenzothiophen-3-yl-N,22-diphenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-22-phenyl-N-(3-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-naphthalen-2-yl-22-phenyl-N-(4-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(4-phenylphenyl)-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]naphthalen-1-amine;N-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]dibenzothiophen-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)c3cc5ccc6c7ccccc7sc6c5cc3n4-c3ccccc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4cc6ccc7c8ccccc8sc7c6cc4n5-c4ccccc4)cc3)c3cccc4ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)c3cc5ccc6c7ccccc7sc6c5cc3n4-c3ccccc3)cc2)cc1.c1ccc(-n2c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5ccccc45)cc3c3cc4ccc5c6ccccc6sc5c4cc32)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)c3cc5ccc6c7ccccc7sc6c5cc3n4-c3ccccc3)cc2)c2ccc3c(c2)sc2ccccc23)cc1.c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3c(c2)c2cc4ccc5c6ccccc6sc5c4cc2n3-c2ccccc2)cc1
InChIInChI=1S/C56H36N2S.C55H38N2S.C52H32N2S2.C50H30N2OS.C50H32N2S.C46H28N2S2/c1-3-12-37(13-4-1)38-22-28-44(29-23-38)57(52-20-11-15-40-14-7-8-18-46(40)52)45-30-24-39(25-31-45)41-27-33-53-50(34-41)51-35-42-26-32-48-47-19-9-10-21-55(47)59-56(48)49(42)36-54(51)58(53)43-16-5-2-6-17-43;1-55(2)49-22-11-9-20-42(49)43-28-25-41(33-50(43)55)56(39-19-13-16-36(30-39)35-14-5-3-6-15-35)40-26-29-51-48(32-40)47-31-37-24-27-45-44-21-10-12-23-53(44)58-54(45)46(37)34-52(47)57(51)38-17-7-4-8-18-38;1-3-11-36(12-4-1)53(39-25-27-42-40-15-7-9-17-49(40)55-51(42)31-39)38-23-19-33(20-24-38)34-22-28-47-45(29-34)46-30-35-21-26-43-41-16-8-10-18-50(41)56-52(43)44(35)32-48(46)54(47)37-13-5-2-6-14-37;1-2-13-33(14-3-1)52-45-26-23-34(28-43(45)42-27-32-21-24-40-39-17-7-9-20-49(39)54-50(40)41(32)30-46(42)52)51(44-18-10-12-31-11-4-5-15-36(31)44)35-22-25-38-37-16-6-8-19-47(37)53-48(38)29-35;1-3-11-33(12-4-1)35-19-23-39(24-20-35)51(40-25-21-34-13-7-8-14-36(34)29-40)41-26-28-47-46(31-41)45-30-37-22-27-43-42-17-9-10-18-49(42)53-50(43)44(37)32-48(45)52(47)38-15-5-2-6-16-38;1-3-11-30(12-4-1)47(33-20-23-36-34-15-7-9-17-43(34)49-45(36)27-33)32-21-24-41-40(26-32)39-25-29-19-22-37-35-16-8-10-18-44(35)50-46(37)38(29)28-42(39)48(41)31-13-5-2-6-14-31/h1-36H;3-34H,1-2H3;1-32H;1-30H;1-32H;1-28H
InChIKeyFEIKEGVQGVOPAP-UHFFFAOYSA-N
MW4349.59 g/mol
LogP91.38
Rot. Bonds29

About N-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-dibenzothiophen-3-yl-N,22-diphenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-22-phenyl-N-(3-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-naphthalen-2-yl-22-phenyl-N-(4-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(4-phenylphenyl)-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]naphthalen-1-amine;N-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]dibenzothiophen-3-amine

N-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-dibenzothiophen-3-yl-N,22-diphenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-22-phenyl-N-(3-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-naphthalen-2-yl-22-phenyl-N-(4-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(4-phenylphenyl)-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]naphthalen-1-amine;N-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]dibenzothiophen-3-amine (PubChem CID 158006340) has the molecular formula C309H196N12OS8 and a molecular weight of 4349.59 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-dibenzothiophen-3-yl-N,22-diphenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-22-phenyl-N-(3-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-naphthalen-2-yl-22-phenyl-N-(4-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(4-phenylphenyl)-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]naphthalen-1-amine;N-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-dibenzothiophen-3-yl-N,22-diphenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-22-phenyl-N-(3-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-naphthalen-2-yl-22-phenyl-N-(4-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(4-phenylphenyl)-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]naphthalen-1-amine;N-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]dibenzothiophen-3-amine
PubChem CID158006340
Molecular FormulaC309H196N12OS8
Molecular Weight4349.59 g/mol
Exact Mass4345.34
IUPAC NameN-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-dibenzothiophen-3-yl-N,22-diphenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-22-phenyl-N-(3-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-naphthalen-2-yl-22-phenyl-N-(4-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(4-phenylphenyl)-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]naphthalen-1-amine;N-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]dibenzothiophen-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)c3cc5ccc6c7ccccc7sc6c5cc3n4-c3ccccc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4cc6ccc7c8ccccc8sc7c6cc4n5-c4ccccc4)cc3)c3cccc4ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)c3cc5ccc6c7ccccc7sc6c5cc3n4-c3ccccc3)cc2)cc1.c1ccc(-n2c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5ccccc45)cc3c3cc4ccc5c6ccccc6sc5c4cc32)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)c3cc5ccc6c7ccccc7sc6c5cc3n4-c3ccccc3)cc2)c2ccc3c(c2)sc2ccccc23)cc1.c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3c(c2)c2cc4ccc5c6ccccc6sc5c4cc2n3-c2ccccc2)cc1
InChIInChI=1S/C56H36N2S.C55H38N2S.C52H32N2S2.C50H30N2OS.C50H32N2S.C46H28N2S2/c1-3-12-37(13-4-1)38-22-28-44(29-23-38)57(52-20-11-15-40-14-7-8-18-46(40)52)45-30-24-39(25-31-45)41-27-33-53-50(34-41)51-35-42-26-32-48-47-19-9-10-21-55(47)59-56(48)49(42)36-54(51)58(53)43-16-5-2-6-17-43;1-55(2)49-22-11-9-20-42(49)43-28-25-41(33-50(43)55)56(39-19-13-16-36(30-39)35-14-5-3-6-15-35)40-26-29-51-48(32-40)47-31-37-24-27-45-44-21-10-12-23-53(44)58-54(45)46(37)34-52(47)57(51)38-17-7-4-8-18-38;1-3-11-36(12-4-1)53(39-25-27-42-40-15-7-9-17-49(40)55-51(42)31-39)38-23-19-33(20-24-38)34-22-28-47-45(29-34)46-30-35-21-26-43-41-16-8-10-18-50(41)56-52(43)44(35)32-48(46)54(47)37-13-5-2-6-14-37;1-2-13-33(14-3-1)52-45-26-23-34(28-43(45)42-27-32-21-24-40-39-17-7-9-20-49(39)54-50(40)41(32)30-46(42)52)51(44-18-10-12-31-11-4-5-15-36(31)44)35-22-25-38-37-16-6-8-19-47(37)53-48(38)29-35;1-3-11-33(12-4-1)35-19-23-39(24-20-35)51(40-25-21-34-13-7-8-14-36(34)29-40)41-26-28-47-46(31-41)45-30-37-22-27-43-42-17-9-10-18-49(42)53-50(43)44(37)32-48(45)52(47)38-15-5-2-6-16-38;1-3-11-30(12-4-1)47(33-20-23-36-34-15-7-9-17-43(34)49-45(36)27-33)32-21-24-41-40(26-32)39-25-29-19-22-37-35-16-8-10-18-44(35)50-46(37)38(29)28-42(39)48(41)31-13-5-2-6-14-31/h1-36H;3-34H,1-2H3;1-32H;1-30H;1-32H;1-28H
InChIKeyFEIKEGVQGVOPAP-UHFFFAOYSA-N
XLogP91.38
TPSA62.16 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds29
Heavy Atoms330
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004349.59
LogP ≤ 591.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze N-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-dibenzothiophen-3-yl-N,22-diphenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-22-phenyl-N-(3-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-naphthalen-2-yl-22-phenyl-N-(4-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(4-phenylphenyl)-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]naphthalen-1-amine;N-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]dibenzothiophen-3-amine with MolForge

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What is the IUPAC name of N-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-dibenzothiophen-3-yl-N,22-diphenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-22-phenyl-N-(3-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-naphthalen-2-yl-22-phenyl-N-(4-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(4-phenylphenyl)-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]naphthalen-1-amine;N-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]dibenzothiophen-3-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-dibenzothiophen-3-yl-N,22-diphenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-22-phenyl-N-(3-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-naphthalen-2-yl-22-phenyl-N-(4-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(4-phenylphenyl)-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]naphthalen-1-amine;N-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]dibenzothiophen-3-amine (CID 158006340) is N-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-dibenzothiophen-3-yl-N,22-diphenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-22-phenyl-N-(3-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-naphthalen-2-yl-22-phenyl-N-(4-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(4-phenylphenyl)-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]naphthalen-1-amine;N-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-dibenzothiophen-3-yl-N,22-diphenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-22-phenyl-N-(3-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-naphthalen-2-yl-22-phenyl-N-(4-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(4-phenylphenyl)-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]naphthalen-1-amine;N-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]dibenzothiophen-3-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-dibenzothiophen-3-yl-N,22-diphenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-22-phenyl-N-(3-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-naphthalen-2-yl-22-phenyl-N-(4-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(4-phenylphenyl)-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]naphthalen-1-amine;N-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]dibenzothiophen-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)c3cc5ccc6c7ccccc7sc6c5cc3n4-c3ccccc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4cc6ccc7c8ccccc8sc7c6cc4n5-c4ccccc4)cc3)c3cccc4ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)c3cc5ccc6c7ccccc7sc6c5cc3n4-c3ccccc3)cc2)cc1.c1ccc(-n2c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5ccccc45)cc3c3cc4ccc5c6ccccc6sc5c4cc32)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)c3cc5ccc6c7ccccc7sc6c5cc3n4-c3ccccc3)cc2)c2ccc3c(c2)sc2ccccc23)cc1.c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3c(c2)c2cc4ccc5c6ccccc6sc5c4cc2n3-c2ccccc2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-dibenzothiophen-3-yl-N,22-diphenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-22-phenyl-N-(3-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-naphthalen-2-yl-22-phenyl-N-(4-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(4-phenylphenyl)-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]naphthalen-1-amine;N-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]dibenzothiophen-3-amine?
The InChIKey is FEIKEGVQGVOPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2S.C55H38N2S.C52H32N2S2.C50H30N2OS.C50H32N2S.C46H28N2S2/c1-3-12-37(13-4-1)38-22-28-44(29-23-38)57(52-20-11-15-40-14-7-8-18-46(40)52)45-30-24-39(25-31-45)41-27-33-53-50(34-41)51-35-42-26-32-48-47-19-9-10-21-55(47)59-56(48)49(42)36-54(51)58(53)43-16-5-2-6-17-43;1-55(2)49-22-11-9-20-42(49)43-28-25-41(33-50(43)55)56(39-19-13-16-36(30-39)35-14-5-3-6-15-35)40-26-29-51-48(32-40)47-31-37-24-27-45-44-21-10-12-23-53(44)58-54(45)46(37)34-52(47)57(51)38-17-7-4-8-18-38;1-3-11-36(12-4-1)53(39-25-27-42-40-15-7-9-17-49(40)55-51(42)31-39)38-23-19-33(20-24-38)34-22-28-47-45(29-34)46-30-35-21-26-43-41-16-8-10-18-50(41)56-52(43)44(35)32-48(46)54(47)37-13-5-2-6-14-37;1-2-13-33(14-3-1)52-45-26-23-34(28-43(45)42-27-32-21-24-40-39-17-7-9-20-49(39)54-50(40)41(32)30-46(42)52)51(44-18-10-12-31-11-4-5-15-36(31)44)35-22-25-38-37-16-6-8-19-47(37)53-48(38)29-35;1-3-11-33(12-4-1)35-19-23-39(24-20-35)51(40-25-21-34-13-7-8-14-36(34)29-40)41-26-28-47-46(31-41)45-30-37-22-27-43-42-17-9-10-18-49(42)53-50(43)44(37)32-48(45)52(47)38-15-5-2-6-16-38;1-3-11-30(12-4-1)47(33-20-23-36-34-15-7-9-17-43(34)49-45(36)27-33)32-21-24-41-40(26-32)39-25-29-19-22-37-35-16-8-10-18-44(35)50-46(37)38(29)28-42(39)48(41)31-13-5-2-6-14-31/h1-36H;3-34H,1-2H3;1-32H;1-30H;1-32H;1-28H.
What are the key properties of N-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-dibenzothiophen-3-yl-N,22-diphenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-22-phenyl-N-(3-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-naphthalen-2-yl-22-phenyl-N-(4-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(4-phenylphenyl)-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]naphthalen-1-amine;N-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]dibenzothiophen-3-amine?
N-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-dibenzothiophen-3-yl-N,22-diphenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-22-phenyl-N-(3-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-naphthalen-2-yl-22-phenyl-N-(4-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(4-phenylphenyl)-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]naphthalen-1-amine;N-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]dibenzothiophen-3-amine has a molecular weight of 4349.59 g/mol, XLogP of 91.38, 29 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-dibenzothiophen-3-yl-N,22-diphenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-22-phenyl-N-(3-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-naphthalen-2-yl-22-phenyl-N-(4-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(4-phenylphenyl)-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]naphthalen-1-amine;N-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 158006340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).