15-(4-dibenzothiophen-3-ylphenyl)-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;15-[3,5-di(dibenzothiophen-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)fluoren-2-amine;N,N-diphenyl-4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)aniline;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-1-amine;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-2-amine

C333H250N10S3 — CID 158439905

IUPAC15-(4-dibenzothiophen-3-ylphenyl)-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;15-[3,5-di(dibenzothiophen-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)fluoren-2-amine;N,N-diphenyl-4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)aniline;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-1-amine;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-2-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2ccc(-n3c4cc5c(cc4c4cc6c(cc43)C(C)(C)c3ccccc3-6)-c3ccccc3C5(C)C)cc21.CC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4cc(-c6cccc7c6sc6ccccc67)cc(-c6cccc7c6sc6ccccc67)c4)c3cc21)C(C)(C)c1ccccc1-5.CC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccc(-c6ccc(N(c7ccccc7)c7ccc8ccccc8c7)cc6)cc4)c3cc21)C(C)(C)c1ccccc1-5.CC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccc(-c6ccc(N(c7ccccc7)c7cccc8ccccc78)cc6)cc4)c3cc21)C(C)(C)c1ccccc1-5.CC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccc(-c6ccc7c(c6)sc6ccccc67)cc4)c3cc21)C(C)(C)c1ccccc1-5.CC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccc(N(c6ccccc6)c6ccccc6)cc4)c3cc21)C(C)(C)c1ccccc1-5
InChIInChI=1S/C61H48N2.C60H41NS2.2C58H44N2.C48H38N2.C48H35NS/c1-59(2)50-24-14-12-22-42(50)46-33-48-49-34-47-43-23-13-15-25-51(43)60(3,4)55(47)36-58(49)63(57(48)35-54(46)59)40-28-30-45-44-29-27-39(31-52(44)61(5,6)53(45)32-40)62(38-19-8-7-9-20-38)56-26-16-18-37-17-10-11-21-41(37)56;1-59(2)49-23-9-5-15-39(49)45-30-47-48-31-46-40-16-6-10-24-50(40)60(3,4)52(46)33-54(48)61(53(47)32-51(45)59)36-28-34(37-19-13-21-43-41-17-7-11-25-55(41)62-57(37)43)27-35(29-36)38-20-14-22-44-42-18-8-12-26-56(42)63-58(38)44;1-57(2)50-22-12-10-20-44(50)46-33-48-49-34-47-45-21-11-13-23-51(45)58(3,4)53(47)36-56(49)60(55(48)35-52(46)57)42-31-27-38(28-32-42)37-25-29-41(30-26-37)59(40-17-6-5-7-18-40)54-24-14-16-39-15-8-9-19-43(39)54;1-57(2)51-20-12-10-18-45(51)47-33-49-50-34-48-46-19-11-13-21-52(46)58(3,4)54(48)36-56(50)60(55(49)35-53(47)57)43-29-24-39(25-30-43)38-22-27-42(28-23-38)59(41-16-6-5-7-17-41)44-31-26-37-14-8-9-15-40(37)32-44;1-47(2)41-21-13-11-19-35(41)37-27-39-40-28-38-36-20-12-14-22-42(36)48(3,4)44(38)30-46(40)50(45(39)29-43(37)47)34-25-23-33(24-26-34)49(31-15-7-5-8-16-31)32-17-9-6-10-18-32;1-47(2)39-14-8-5-11-31(39)35-24-37-38-25-36-32-12-6-9-15-40(32)48(3,4)42(36)27-44(38)49(43(37)26-41(35)47)30-20-17-28(18-21-30)29-19-22-34-33-13-7-10-16-45(33)50-46(34)23-29/h7-36H,1-6H3;5-33H,1-4H3;2*5-36H,1-4H3;5-30H,1-4H3;5-27H,1-4H3
InChIKeyHCRNOLAWZAFLBL-UHFFFAOYSA-N
MW4487.93 g/mol
LogP91.46
Rot. Bonds23

About 15-(4-dibenzothiophen-3-ylphenyl)-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;15-[3,5-di(dibenzothiophen-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)fluoren-2-amine;N,N-diphenyl-4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)aniline;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-1-amine;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-2-amine

15-(4-dibenzothiophen-3-ylphenyl)-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;15-[3,5-di(dibenzothiophen-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)fluoren-2-amine;N,N-diphenyl-4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)aniline;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-1-amine;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-2-amine (PubChem CID 158439905) has the molecular formula C333H250N10S3 and a molecular weight of 4487.93 g/mol. Its IUPAC name is 15-(4-dibenzothiophen-3-ylphenyl)-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;15-[3,5-di(dibenzothiophen-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)fluoren-2-amine;N,N-diphenyl-4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)aniline;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-1-amine;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-2-amine.

Molecular Properties

Compound Name15-(4-dibenzothiophen-3-ylphenyl)-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;15-[3,5-di(dibenzothiophen-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)fluoren-2-amine;N,N-diphenyl-4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)aniline;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-1-amine;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-2-amine
PubChem CID158439905
Molecular FormulaC333H250N10S3
Molecular Weight4487.93 g/mol
Exact Mass4483.90
IUPAC Name15-(4-dibenzothiophen-3-ylphenyl)-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;15-[3,5-di(dibenzothiophen-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)fluoren-2-amine;N,N-diphenyl-4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)aniline;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-1-amine;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-2-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2ccc(-n3c4cc5c(cc4c4cc6c(cc43)C(C)(C)c3ccccc3-6)-c3ccccc3C5(C)C)cc21.CC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4cc(-c6cccc7c6sc6ccccc67)cc(-c6cccc7c6sc6ccccc67)c4)c3cc21)C(C)(C)c1ccccc1-5.CC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccc(-c6ccc(N(c7ccccc7)c7ccc8ccccc8c7)cc6)cc4)c3cc21)C(C)(C)c1ccccc1-5.CC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccc(-c6ccc(N(c7ccccc7)c7cccc8ccccc78)cc6)cc4)c3cc21)C(C)(C)c1ccccc1-5.CC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccc(-c6ccc7c(c6)sc6ccccc67)cc4)c3cc21)C(C)(C)c1ccccc1-5.CC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccc(N(c6ccccc6)c6ccccc6)cc4)c3cc21)C(C)(C)c1ccccc1-5
InChIInChI=1S/C61H48N2.C60H41NS2.2C58H44N2.C48H38N2.C48H35NS/c1-59(2)50-24-14-12-22-42(50)46-33-48-49-34-47-43-23-13-15-25-51(43)60(3,4)55(47)36-58(49)63(57(48)35-54(46)59)40-28-30-45-44-29-27-39(31-52(44)61(5,6)53(45)32-40)62(38-19-8-7-9-20-38)56-26-16-18-37-17-10-11-21-41(37)56;1-59(2)49-23-9-5-15-39(49)45-30-47-48-31-46-40-16-6-10-24-50(40)60(3,4)52(46)33-54(48)61(53(47)32-51(45)59)36-28-34(37-19-13-21-43-41-17-7-11-25-55(41)62-57(37)43)27-35(29-36)38-20-14-22-44-42-18-8-12-26-56(42)63-58(38)44;1-57(2)50-22-12-10-20-44(50)46-33-48-49-34-47-45-21-11-13-23-51(45)58(3,4)53(47)36-56(49)60(55(48)35-52(46)57)42-31-27-38(28-32-42)37-25-29-41(30-26-37)59(40-17-6-5-7-18-40)54-24-14-16-39-15-8-9-19-43(39)54;1-57(2)51-20-12-10-18-45(51)47-33-49-50-34-48-46-19-11-13-21-52(46)58(3,4)54(48)36-56(50)60(55(49)35-53(47)57)43-29-24-39(25-30-43)38-22-27-42(28-23-38)59(41-16-6-5-7-17-41)44-31-26-37-14-8-9-15-40(37)32-44;1-47(2)41-21-13-11-19-35(41)37-27-39-40-28-38-36-20-12-14-22-42(36)48(3,4)44(38)30-46(40)50(45(39)29-43(37)47)34-25-23-33(24-26-34)49(31-15-7-5-8-16-31)32-17-9-6-10-18-32;1-47(2)39-14-8-5-11-31(39)35-24-37-38-25-36-32-12-6-9-15-40(32)48(3,4)42(36)27-44(38)49(43(37)26-41(35)47)30-20-17-28(18-21-30)29-19-22-34-33-13-7-10-16-45(33)50-46(34)23-29/h7-36H,1-6H3;5-33H,1-4H3;2*5-36H,1-4H3;5-30H,1-4H3;5-27H,1-4H3
InChIKeyHCRNOLAWZAFLBL-UHFFFAOYSA-N
XLogP91.46
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds23
Heavy Atoms346
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004487.93
LogP ≤ 591.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 15-(4-dibenzothiophen-3-ylphenyl)-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;15-[3,5-di(dibenzothiophen-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)fluoren-2-amine;N,N-diphenyl-4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)aniline;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-1-amine;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-2-amine with MolForge

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What is the IUPAC name of 15-(4-dibenzothiophen-3-ylphenyl)-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;15-[3,5-di(dibenzothiophen-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)fluoren-2-amine;N,N-diphenyl-4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)aniline;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-1-amine;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-2-amine?
The IUPAC name of 15-(4-dibenzothiophen-3-ylphenyl)-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;15-[3,5-di(dibenzothiophen-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)fluoren-2-amine;N,N-diphenyl-4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)aniline;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-1-amine;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-2-amine (CID 158439905) is 15-(4-dibenzothiophen-3-ylphenyl)-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;15-[3,5-di(dibenzothiophen-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)fluoren-2-amine;N,N-diphenyl-4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)aniline;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-1-amine;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-2-amine.
What is the SMILES notation for 15-(4-dibenzothiophen-3-ylphenyl)-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;15-[3,5-di(dibenzothiophen-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)fluoren-2-amine;N,N-diphenyl-4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)aniline;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-1-amine;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-2-amine?
The canonical SMILES for 15-(4-dibenzothiophen-3-ylphenyl)-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;15-[3,5-di(dibenzothiophen-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)fluoren-2-amine;N,N-diphenyl-4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)aniline;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-1-amine;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-2-amine is CC1(C)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2ccc(-n3c4cc5c(cc4c4cc6c(cc43)C(C)(C)c3ccccc3-6)-c3ccccc3C5(C)C)cc21.CC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4cc(-c6cccc7c6sc6ccccc67)cc(-c6cccc7c6sc6ccccc67)c4)c3cc21)C(C)(C)c1ccccc1-5.CC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccc(-c6ccc(N(c7ccccc7)c7ccc8ccccc8c7)cc6)cc4)c3cc21)C(C)(C)c1ccccc1-5.CC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccc(-c6ccc(N(c7ccccc7)c7cccc8ccccc78)cc6)cc4)c3cc21)C(C)(C)c1ccccc1-5.CC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccc(-c6ccc7c(c6)sc6ccccc67)cc4)c3cc21)C(C)(C)c1ccccc1-5.CC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccc(N(c6ccccc6)c6ccccc6)cc4)c3cc21)C(C)(C)c1ccccc1-5.
What is the InChIKey of 15-(4-dibenzothiophen-3-ylphenyl)-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;15-[3,5-di(dibenzothiophen-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)fluoren-2-amine;N,N-diphenyl-4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)aniline;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-1-amine;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-2-amine?
The InChIKey is HCRNOLAWZAFLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H48N2.C60H41NS2.2C58H44N2.C48H38N2.C48H35NS/c1-59(2)50-24-14-12-22-42(50)46-33-48-49-34-47-43-23-13-15-25-51(43)60(3,4)55(47)36-58(49)63(57(48)35-54(46)59)40-28-30-45-44-29-27-39(31-52(44)61(5,6)53(45)32-40)62(38-19-8-7-9-20-38)56-26-16-18-37-17-10-11-21-41(37)56;1-59(2)49-23-9-5-15-39(49)45-30-47-48-31-46-40-16-6-10-24-50(40)60(3,4)52(46)33-54(48)61(53(47)32-51(45)59)36-28-34(37-19-13-21-43-41-17-7-11-25-55(41)62-57(37)43)27-35(29-36)38-20-14-22-44-42-18-8-12-26-56(42)63-58(38)44;1-57(2)50-22-12-10-20-44(50)46-33-48-49-34-47-45-21-11-13-23-51(45)58(3,4)53(47)36-56(49)60(55(48)35-52(46)57)42-31-27-38(28-32-42)37-25-29-41(30-26-37)59(40-17-6-5-7-18-40)54-24-14-16-39-15-8-9-19-43(39)54;1-57(2)51-20-12-10-18-45(51)47-33-49-50-34-48-46-19-11-13-21-52(46)58(3,4)54(48)36-56(50)60(55(49)35-53(47)57)43-29-24-39(25-30-43)38-22-27-42(28-23-38)59(41-16-6-5-7-17-41)44-31-26-37-14-8-9-15-40(37)32-44;1-47(2)41-21-13-11-19-35(41)37-27-39-40-28-38-36-20-12-14-22-42(36)48(3,4)44(38)30-46(40)50(45(39)29-43(37)47)34-25-23-33(24-26-34)49(31-15-7-5-8-16-31)32-17-9-6-10-18-32;1-47(2)39-14-8-5-11-31(39)35-24-37-38-25-36-32-12-6-9-15-40(32)48(3,4)42(36)27-44(38)49(43(37)26-41(35)47)30-20-17-28(18-21-30)29-19-22-34-33-13-7-10-16-45(33)50-46(34)23-29/h7-36H,1-6H3;5-33H,1-4H3;2*5-36H,1-4H3;5-30H,1-4H3;5-27H,1-4H3.
What are the key properties of 15-(4-dibenzothiophen-3-ylphenyl)-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;15-[3,5-di(dibenzothiophen-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)fluoren-2-amine;N,N-diphenyl-4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)aniline;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-1-amine;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-2-amine?
15-(4-dibenzothiophen-3-ylphenyl)-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;15-[3,5-di(dibenzothiophen-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)fluoren-2-amine;N,N-diphenyl-4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)aniline;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-1-amine;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-2-amine has a molecular weight of 4487.93 g/mol, XLogP of 91.46, 23 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(4-dibenzothiophen-3-ylphenyl)-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;15-[3,5-di(dibenzothiophen-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)fluoren-2-amine;N,N-diphenyl-4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)aniline;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-1-amine;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 158439905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).