13,28-bis(2,6-dimethylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-bis(2-methyl-5-phenylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-di(dibenzofuran-4-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene

C248H156N8O2 — CID 159678094

IUPAC13,28-bis(2,6-dimethylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-bis(2-methyl-5-phenylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-di(dibenzofuran-4-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene
SMILESCc1ccc(-c2ccccc2)cc1-c1ccc2c3c(-c4ccccc4)c4c(c(-c5ccccc5)c3n3c5ccccc5c1c23)c1ccc(-c2cc(-c3ccccc3)ccc2C)c2c3ccccc3n4c12.Cc1cccc(C)c1-c1ccc2c3c(-c4ccccc4)c4c(c(-c5ccccc5)c3n3c5ccccc5c1c23)c1ccc(-c2c(C)cccc2C)c2c3ccccc3n4c12.Cc1ccccc1-c1ccc2c3c(-c4ccccc4)c4c(c(-c5ccccc5)c3n3c5ccccc5c1c23)c1ccc(-c2ccccc2C)c2c3ccccc3n4c12.c1ccc(-c2c3c4ccc(-c5cccc6c5oc5ccccc56)c5c6ccccc6n(c3c(-c3ccccc3)c3c6ccc(-c7cccc8c7oc7ccccc78)c7c8ccccc8n(c23)c67)c45)cc1
InChIInChI=1S/C68H44N2.C66H36N2O2.C58H40N2.C56H36N2/c1-41-31-33-47(43-19-7-3-8-20-43)39-55(41)49-35-37-53-63-59(45-23-11-5-12-24-45)68-64(60(46-25-13-6-14-26-46)67(63)69-57-29-17-15-27-51(57)61(49)65(53)69)54-38-36-50(62-52-28-16-18-30-58(52)70(68)66(54)62)56-40-48(34-32-42(56)2)44-21-9-4-10-22-44;1-3-17-37(18-4-1)55-59-49-35-33-41(45-27-15-25-43-39-21-9-13-31-53(39)69-65(43)45)57-48-24-8-12-30-52(48)68(61(49)57)64(59)56(38-19-5-2-6-20-38)60-50-36-34-42(58-47-23-7-11-29-51(47)67(62(50)58)63(55)60)46-28-16-26-44-40-22-10-14-32-54(40)70-66(44)46;1-33-17-15-18-34(2)47(33)41-29-31-43-53-49(37-21-7-5-8-22-37)58-54(50(38-23-9-6-10-24-38)57(53)59-45-27-13-11-25-39(45)51(41)55(43)59)44-32-30-42(48-35(3)19-16-20-36(48)4)52-40-26-12-14-28-46(40)60(58)56(44)52;1-33-17-9-11-23-37(33)39-29-31-43-51-47(35-19-5-3-6-20-35)56-52(48(36-21-7-4-8-22-36)55(51)57-45-27-15-13-25-41(45)49(39)53(43)57)44-32-30-40(38-24-12-10-18-34(38)2)50-42-26-14-16-28-46(42)58(56)54(44)50/h3-40H,1-2H3;1-36H;5-32H,1-4H3;3-32H,1-2H3
InChIKeyMUWDOSUGNXFCNH-UHFFFAOYSA-N
MW3280.03 g/mol
LogP68.22
Rot. Bonds18

About 13,28-bis(2,6-dimethylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-bis(2-methyl-5-phenylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-di(dibenzofuran-4-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene

13,28-bis(2,6-dimethylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-bis(2-methyl-5-phenylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-di(dibenzofuran-4-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene (PubChem CID 159678094) has the molecular formula C248H156N8O2 and a molecular weight of 3280.03 g/mol. Its IUPAC name is 13,28-bis(2,6-dimethylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-bis(2-methyl-5-phenylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-di(dibenzofuran-4-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene.

Molecular Properties

Compound Name13,28-bis(2,6-dimethylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-bis(2-methyl-5-phenylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-di(dibenzofuran-4-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene
PubChem CID159678094
Molecular FormulaC248H156N8O2
Molecular Weight3280.03 g/mol
Exact Mass3277.24
IUPAC Name13,28-bis(2,6-dimethylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-bis(2-methyl-5-phenylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-di(dibenzofuran-4-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene
SMILESCc1ccc(-c2ccccc2)cc1-c1ccc2c3c(-c4ccccc4)c4c(c(-c5ccccc5)c3n3c5ccccc5c1c23)c1ccc(-c2cc(-c3ccccc3)ccc2C)c2c3ccccc3n4c12.Cc1cccc(C)c1-c1ccc2c3c(-c4ccccc4)c4c(c(-c5ccccc5)c3n3c5ccccc5c1c23)c1ccc(-c2c(C)cccc2C)c2c3ccccc3n4c12.Cc1ccccc1-c1ccc2c3c(-c4ccccc4)c4c(c(-c5ccccc5)c3n3c5ccccc5c1c23)c1ccc(-c2ccccc2C)c2c3ccccc3n4c12.c1ccc(-c2c3c4ccc(-c5cccc6c5oc5ccccc56)c5c6ccccc6n(c3c(-c3ccccc3)c3c6ccc(-c7cccc8c7oc7ccccc78)c7c8ccccc8n(c23)c67)c45)cc1
InChIInChI=1S/C68H44N2.C66H36N2O2.C58H40N2.C56H36N2/c1-41-31-33-47(43-19-7-3-8-20-43)39-55(41)49-35-37-53-63-59(45-23-11-5-12-24-45)68-64(60(46-25-13-6-14-26-46)67(63)69-57-29-17-15-27-51(57)61(49)65(53)69)54-38-36-50(62-52-28-16-18-30-58(52)70(68)66(54)62)56-40-48(34-32-42(56)2)44-21-9-4-10-22-44;1-3-17-37(18-4-1)55-59-49-35-33-41(45-27-15-25-43-39-21-9-13-31-53(39)69-65(43)45)57-48-24-8-12-30-52(48)68(61(49)57)64(59)56(38-19-5-2-6-20-38)60-50-36-34-42(58-47-23-7-11-29-51(47)67(62(50)58)63(55)60)46-28-16-26-44-40-22-10-14-32-54(40)70-66(44)46;1-33-17-15-18-34(2)47(33)41-29-31-43-53-49(37-21-7-5-8-22-37)58-54(50(38-23-9-6-10-24-38)57(53)59-45-27-13-11-25-39(45)51(41)55(43)59)44-32-30-42(48-35(3)19-16-20-36(48)4)52-40-26-12-14-28-46(40)60(58)56(44)52;1-33-17-9-11-23-37(33)39-29-31-43-51-47(35-19-5-3-6-20-35)56-52(48(36-21-7-4-8-22-36)55(51)57-45-27-15-13-25-41(45)49(39)53(43)57)44-32-30-40(38-24-12-10-18-34(38)2)50-42-26-14-16-28-46(42)58(56)54(44)50/h3-40H,1-2H3;1-36H;5-32H,1-4H3;3-32H,1-2H3
InChIKeyMUWDOSUGNXFCNH-UHFFFAOYSA-N
XLogP68.22
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms258
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003280.03
LogP ≤ 568.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 13,28-bis(2,6-dimethylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-bis(2-methyl-5-phenylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-di(dibenzofuran-4-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene with MolForge

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Related Compounds

3,25-diphenyl-14,36-dioxa-5,27-diazatridecacyclo[25.17.1.15,12.02,26.04,24.06,11.013,21.015,20.028,33.034,45.035,43.037,42.023,46]hexatetraconta-1(45),2,4(24),6,8,10,12,15,17,19,21,23(46),25,28,30,32,34,37,39,41,43-henicosaene
CID 146512323
10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-methyl-5-phenylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine;3-methyl-N-[4-[25-[4-(N-(3-methyldibenzofuran-4-yl)anilino)phenyl]-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaen-10-yl]phenyl]-N-phenyldibenzofuran-4-amine
CID 158806311
10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine
CID 138745954
23-N-dibenzofuran-4-yl-8-N-(3-methyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
CID 146526388
10-N,25-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-10-N,25-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine;10-N,25-N-bis(3-methyldibenzofuran-4-yl)-3,18-diphenyl-10-N,25-N-bis(2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine;10-N,25-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-10-N,25-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine;methane
CID 163756535
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 118179975
N-(3-dibenzofuran-4-ylphenyl)-4-methyl-3-(2-methylphenyl)-N-(4-phenylphenyl)aniline
CID 130250362
3-dibenzofuran-4-yl-9-(4-dibenzofuran-4-ylphenyl)-6-[4-methyl-3-(2-methylphenyl)phenyl]carbazole;toluene
CID 145108725
10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(3-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(4-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine
CID 158933266
1-(4-methylphenyl)dibenzofuran;3-(4-methylphenyl)dibenzofuran;3-methyl-7-phenyldibenzofuran;4-methyl-1-phenyldibenzofuran;4-(2-methylphenyl)dibenzofuran;4-(3-methylphenyl)dibenzofuran;4-(4-methylphenyl)dibenzofuran
CID 160682962
3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)-15-phenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
CID 168768228
1-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4-methyldibenzofuran
CID 153447877

Frequently Asked Questions

What is the IUPAC name of 13,28-bis(2,6-dimethylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-bis(2-methyl-5-phenylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-di(dibenzofuran-4-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene?
The IUPAC name of 13,28-bis(2,6-dimethylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-bis(2-methyl-5-phenylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-di(dibenzofuran-4-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene (CID 159678094) is 13,28-bis(2,6-dimethylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-bis(2-methyl-5-phenylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-di(dibenzofuran-4-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene.
What is the SMILES notation for 13,28-bis(2,6-dimethylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-bis(2-methyl-5-phenylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-di(dibenzofuran-4-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene?
The canonical SMILES for 13,28-bis(2,6-dimethylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-bis(2-methyl-5-phenylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-di(dibenzofuran-4-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene is Cc1ccc(-c2ccccc2)cc1-c1ccc2c3c(-c4ccccc4)c4c(c(-c5ccccc5)c3n3c5ccccc5c1c23)c1ccc(-c2cc(-c3ccccc3)ccc2C)c2c3ccccc3n4c12.Cc1cccc(C)c1-c1ccc2c3c(-c4ccccc4)c4c(c(-c5ccccc5)c3n3c5ccccc5c1c23)c1ccc(-c2c(C)cccc2C)c2c3ccccc3n4c12.Cc1ccccc1-c1ccc2c3c(-c4ccccc4)c4c(c(-c5ccccc5)c3n3c5ccccc5c1c23)c1ccc(-c2ccccc2C)c2c3ccccc3n4c12.c1ccc(-c2c3c4ccc(-c5cccc6c5oc5ccccc56)c5c6ccccc6n(c3c(-c3ccccc3)c3c6ccc(-c7cccc8c7oc7ccccc78)c7c8ccccc8n(c23)c67)c45)cc1.
What is the InChIKey of 13,28-bis(2,6-dimethylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-bis(2-methyl-5-phenylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-di(dibenzofuran-4-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene?
The InChIKey is MUWDOSUGNXFCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N2.C66H36N2O2.C58H40N2.C56H36N2/c1-41-31-33-47(43-19-7-3-8-20-43)39-55(41)49-35-37-53-63-59(45-23-11-5-12-24-45)68-64(60(46-25-13-6-14-26-46)67(63)69-57-29-17-15-27-51(57)61(49)65(53)69)54-38-36-50(62-52-28-16-18-30-58(52)70(68)66(54)62)56-40-48(34-32-42(56)2)44-21-9-4-10-22-44;1-3-17-37(18-4-1)55-59-49-35-33-41(45-27-15-25-43-39-21-9-13-31-53(39)69-65(43)45)57-48-24-8-12-30-52(48)68(61(49)57)64(59)56(38-19-5-2-6-20-38)60-50-36-34-42(58-47-23-7-11-29-51(47)67(62(50)58)63(55)60)46-28-16-26-44-40-22-10-14-32-54(40)70-66(44)46;1-33-17-15-18-34(2)47(33)41-29-31-43-53-49(37-21-7-5-8-22-37)58-54(50(38-23-9-6-10-24-38)57(53)59-45-27-13-11-25-39(45)51(41)55(43)59)44-32-30-42(48-35(3)19-16-20-36(48)4)52-40-26-12-14-28-46(40)60(58)56(44)52;1-33-17-9-11-23-37(33)39-29-31-43-51-47(35-19-5-3-6-20-35)56-52(48(36-21-7-4-8-22-36)55(51)57-45-27-15-13-25-41(45)49(39)53(43)57)44-32-30-40(38-24-12-10-18-34(38)2)50-42-26-14-16-28-46(42)58(56)54(44)50/h3-40H,1-2H3;1-36H;5-32H,1-4H3;3-32H,1-2H3.
What are the key properties of 13,28-bis(2,6-dimethylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-bis(2-methyl-5-phenylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-di(dibenzofuran-4-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene?
13,28-bis(2,6-dimethylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-bis(2-methyl-5-phenylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-di(dibenzofuran-4-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene has a molecular weight of 3280.03 g/mol, XLogP of 68.22, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 13,28-bis(2,6-dimethylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-bis(2-methyl-5-phenylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-di(dibenzofuran-4-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene is sourced from PubChem (CID 159678094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).