4,20-bis(3,5-diphenylphenyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis(2,6-dipyridin-2-yl-4-pyridinyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis[3,5-di(pyrimidin-2-yl)phenyl]-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4-(3,5-diphenylphenyl)-26-thia-8,16,20-triazaoctacyclo[14.12.2.02,7.08,29.09,14.017,22.023,30.024,28]triaconta-1(29),2(7),3,5,9,11,13,17(22),18,20,23(30),24,27-tridecaen-15-one;4-(3,5-diphenylphenyl)-8,16,20-triazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one

C255H150N26O5S — CID 157208374

IUPAC4,20-bis(3,5-diphenylphenyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis(2,6-dipyridin-2-yl-4-pyridinyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis[3,5-di(pyrimidin-2-yl)phenyl]-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4-(3,5-diphenylphenyl)-26-thia-8,16,20-triazaoctacyclo[14.12.2.02,7.08,29.09,14.017,22.023,30.024,28]triaconta-1(29),2(7),3,5,9,11,13,17(22),18,20,23(30),24,27-tridecaen-15-one;4-(3,5-diphenylphenyl)-8,16,20-triazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one
SMILESO=c1c2ccccc2n2c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3c3c4cscc4c4c5cnccc5n1c4c32.O=c1c2ccccc2n2c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3c3ccc4c5cc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)ccc5n1c4c32.O=c1c2ccccc2n2c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3c3ccc4c5cnccc5n1c4c32.O=c1c2ccccc2n2c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3c3ccc4c5cc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)ccc5n1c4c32.O=c1c2ccccc2n2c3ccc(-c4cc(-c5ncccn5)cc(-c5ncccn5)c4)cc3c3ccc4c5cc(-c6cc(-c7ncccn7)cc(-c7ncccn7)c6)ccc5n1c4c32
InChIInChI=1S/C61H38N2O.C55H32N8O.C53H30N10O.C44H25N3OS.C42H25N3O/c64-61-53-23-13-14-24-56(53)62-57-29-25-43(49-33-45(39-15-5-1-6-16-39)31-46(34-49)40-17-7-2-8-18-40)37-54(57)51-27-28-52-55-38-44(26-30-58(55)63(61)60(52)59(51)62)50-35-47(41-19-9-3-10-20-41)32-48(36-50)42-21-11-4-12-22-42;64-55-39-11-1-2-16-50(39)62-51-21-17-33(35-29-46(42-12-3-7-23-56-42)60-47(30-35)43-13-4-8-24-57-43)27-40(51)37-19-20-38-41-28-34(18-22-52(41)63(55)54(38)53(37)62)36-31-48(44-14-5-9-25-58-44)61-49(32-36)45-15-6-10-26-59-45;64-53-41-7-1-2-8-44(41)62-45-13-9-31(33-23-35(49-54-15-3-16-55-49)27-36(24-33)50-56-17-4-18-57-50)29-42(45)39-11-12-40-43-30-32(10-14-46(43)63(53)48(40)47(39)62)34-25-37(51-58-19-5-20-59-51)28-38(26-34)52-60-21-6-22-61-52;48-44-32-13-7-8-14-37(32)46-38-16-15-28(31-20-29(26-9-3-1-4-10-26)19-30(21-31)27-11-5-2-6-12-27)22-33(38)40-35-24-49-25-36(35)41-34-23-45-18-17-39(34)47(44)43(41)42(40)46;46-42-34-13-7-8-14-37(34)44-38-18-15-28(24-35(38)32-16-17-33-36-25-43-20-19-39(36)45(42)41(33)40(32)44)31-22-29(26-9-3-1-4-10-26)21-30(23-31)27-11-5-2-6-12-27/h1-38H;1-32H;1-30H;1-25H;1-25H
InChIKeyARPOSEMKYRXYTH-UHFFFAOYSA-N
MW3690.25 g/mol
LogP59.56
Rot. Bonds24

About 4,20-bis(3,5-diphenylphenyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis(2,6-dipyridin-2-yl-4-pyridinyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis[3,5-di(pyrimidin-2-yl)phenyl]-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4-(3,5-diphenylphenyl)-26-thia-8,16,20-triazaoctacyclo[14.12.2.02,7.08,29.09,14.017,22.023,30.024,28]triaconta-1(29),2(7),3,5,9,11,13,17(22),18,20,23(30),24,27-tridecaen-15-one;4-(3,5-diphenylphenyl)-8,16,20-triazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one

4,20-bis(3,5-diphenylphenyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis(2,6-dipyridin-2-yl-4-pyridinyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis[3,5-di(pyrimidin-2-yl)phenyl]-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4-(3,5-diphenylphenyl)-26-thia-8,16,20-triazaoctacyclo[14.12.2.02,7.08,29.09,14.017,22.023,30.024,28]triaconta-1(29),2(7),3,5,9,11,13,17(22),18,20,23(30),24,27-tridecaen-15-one;4-(3,5-diphenylphenyl)-8,16,20-triazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one (PubChem CID 157208374) has the molecular formula C255H150N26O5S and a molecular weight of 3690.25 g/mol. Its IUPAC name is 4,20-bis(3,5-diphenylphenyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis(2,6-dipyridin-2-yl-4-pyridinyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis[3,5-di(pyrimidin-2-yl)phenyl]-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4-(3,5-diphenylphenyl)-26-thia-8,16,20-triazaoctacyclo[14.12.2.02,7.08,29.09,14.017,22.023,30.024,28]triaconta-1(29),2(7),3,5,9,11,13,17(22),18,20,23(30),24,27-tridecaen-15-one;4-(3,5-diphenylphenyl)-8,16,20-triazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one.

Molecular Properties

Compound Name4,20-bis(3,5-diphenylphenyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis(2,6-dipyridin-2-yl-4-pyridinyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis[3,5-di(pyrimidin-2-yl)phenyl]-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4-(3,5-diphenylphenyl)-26-thia-8,16,20-triazaoctacyclo[14.12.2.02,7.08,29.09,14.017,22.023,30.024,28]triaconta-1(29),2(7),3,5,9,11,13,17(22),18,20,23(30),24,27-tridecaen-15-one;4-(3,5-diphenylphenyl)-8,16,20-triazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one
PubChem CID157208374
Molecular FormulaC255H150N26O5S
Molecular Weight3690.25 g/mol
Exact Mass3687.20
IUPAC Name4,20-bis(3,5-diphenylphenyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis(2,6-dipyridin-2-yl-4-pyridinyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis[3,5-di(pyrimidin-2-yl)phenyl]-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4-(3,5-diphenylphenyl)-26-thia-8,16,20-triazaoctacyclo[14.12.2.02,7.08,29.09,14.017,22.023,30.024,28]triaconta-1(29),2(7),3,5,9,11,13,17(22),18,20,23(30),24,27-tridecaen-15-one;4-(3,5-diphenylphenyl)-8,16,20-triazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one
SMILESO=c1c2ccccc2n2c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3c3c4cscc4c4c5cnccc5n1c4c32.O=c1c2ccccc2n2c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3c3ccc4c5cc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)ccc5n1c4c32.O=c1c2ccccc2n2c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3c3ccc4c5cnccc5n1c4c32.O=c1c2ccccc2n2c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3c3ccc4c5cc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)ccc5n1c4c32.O=c1c2ccccc2n2c3ccc(-c4cc(-c5ncccn5)cc(-c5ncccn5)c4)cc3c3ccc4c5cc(-c6cc(-c7ncccn7)cc(-c7ncccn7)c6)ccc5n1c4c32
InChIInChI=1S/C61H38N2O.C55H32N8O.C53H30N10O.C44H25N3OS.C42H25N3O/c64-61-53-23-13-14-24-56(53)62-57-29-25-43(49-33-45(39-15-5-1-6-16-39)31-46(34-49)40-17-7-2-8-18-40)37-54(57)51-27-28-52-55-38-44(26-30-58(55)63(61)60(52)59(51)62)50-35-47(41-19-9-3-10-20-41)32-48(36-50)42-21-11-4-12-22-42;64-55-39-11-1-2-16-50(39)62-51-21-17-33(35-29-46(42-12-3-7-23-56-42)60-47(30-35)43-13-4-8-24-57-43)27-40(51)37-19-20-38-41-28-34(18-22-52(41)63(55)54(38)53(37)62)36-31-48(44-14-5-9-25-58-44)61-49(32-36)45-15-6-10-26-59-45;64-53-41-7-1-2-8-44(41)62-45-13-9-31(33-23-35(49-54-15-3-16-55-49)27-36(24-33)50-56-17-4-18-57-50)29-42(45)39-11-12-40-43-30-32(10-14-46(43)63(53)48(40)47(39)62)34-25-37(51-58-19-5-20-59-51)28-38(26-34)52-60-21-6-22-61-52;48-44-32-13-7-8-14-37(32)46-38-16-15-28(31-20-29(26-9-3-1-4-10-26)19-30(21-31)27-11-5-2-6-12-27)22-33(38)40-35-24-49-25-36(35)41-34-23-45-18-17-39(34)47(44)43(41)42(40)46;46-42-34-13-7-8-14-37(34)44-38-18-15-28(24-35(38)32-16-17-33-36-25-43-20-19-39(36)45(42)41(33)40(32)44)31-22-29(26-9-3-1-4-10-26)21-30(23-31)27-11-5-2-6-12-27/h1-38H;1-32H;1-30H;1-25H;1-25H
InChIKeyARPOSEMKYRXYTH-UHFFFAOYSA-N
XLogP59.56
TPSA335.69 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds24
Heavy Atoms287
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003690.25
LogP ≤ 559.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 4,20-bis(3,5-diphenylphenyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis(2,6-dipyridin-2-yl-4-pyridinyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis[3,5-di(pyrimidin-2-yl)phenyl]-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4-(3,5-diphenylphenyl)-26-thia-8,16,20-triazaoctacyclo[14.12.2.02,7.08,29.09,14.017,22.023,30.024,28]triaconta-1(29),2(7),3,5,9,11,13,17(22),18,20,23(30),24,27-tridecaen-15-one;4-(3,5-diphenylphenyl)-8,16,20-triazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one with MolForge

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Related Compounds

5-[[5-(4-aminoquinolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 161997724
4,20-Bis[3,5-di(pyrimidin-2-yl)phenyl]-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one
CID 71202873
2-[13-[4-[5-Oxo-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzo[c][2,6]naphthyridin-6-yl]phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11(16),12,14,18,20,22-undecaen-24-yl]-4,5-diphenylpyrimido[5,4-c]isoquinolin-6-one
CID 146647866
8-[24-(6-Oxo-5-phenylpyrazino[2,3-c]isoquinolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11(16),12,14,18,20,22-undecaen-13-yl]-5-phenyl-3-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)pyrimido[4,5-c]isoquinolin-6-one
CID 146648020
4-[8-Oxo-14-[4-(7-oxo-3-thia-8,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),4,9,11,13-hexaen-9-yl)phenyl]-9,11-diaza-14-azoniatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,10,12(16),13-heptaen-10-yl]benzonitrile
CID 156706467
7-[4-[2-(12,12-Dimethyl-2-oxo-3,10,16-triazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(13),4,6,8,10,14,17,19,21,23-decaen-16-yl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]-12-phenyl-16-(4-phenylquinazolin-2-yl)-3,10,12,16-tetrazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(13),4(9),5,7,10,14,17,19,21,23-decaen-2-one
CID 156870522
CID 157117262
CID 157117262
CID 157136927
CID 157136927
9,10-Bis(2,2-diphenylethenyl)anthracene;2,5-bis(2,2-diphenylethenyl)thiophene;2,5-bis[2-(4-phenylphenyl)ethenyl]pyrazine;3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one;ethane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;spiro[18,25-diaza-7-azonianonacyclo[14.13.2.22,5.03,12.04,9.013,30.017,25.019,24.027,31]tritriaconta-1(29),2,4,9,11,13(30),14,16(31),17,19,21,23,27,32-tetradecaene-7,1'-benzimidazol-1-ium]-8,26-dione;6,17,19-trioxo-7,18-diphenyl-18-aza-7-azoniaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaene-7-carbaldehyde;1,4,4-triphenylbuta-1,3-dienylbenzene
CID 157213926
CID 157250171
CID 157250171
CID 157251838
CID 157251838
10-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-2,10,17,21-tetrazapentacyclo[11.9.0.03,11.04,9.014,19]docosa-1,3(11),4,6,8,12,14(19),15,17-nonaene-20,22-dione;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-10,12,16,21-tetrazapentacyclo[11.9.0.03,11.04,9.014,19]docosa-1(13),2,4,6,8,11,14(19),15,17-nonaene-20,22-dione;21-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-6,10,17,21-tetrazapentacyclo[11.9.0.03,11.04,9.014,19]docosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene-20,22-dione
CID 157258909

Frequently Asked Questions

What is the IUPAC name of 4,20-bis(3,5-diphenylphenyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis(2,6-dipyridin-2-yl-4-pyridinyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis[3,5-di(pyrimidin-2-yl)phenyl]-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4-(3,5-diphenylphenyl)-26-thia-8,16,20-triazaoctacyclo[14.12.2.02,7.08,29.09,14.017,22.023,30.024,28]triaconta-1(29),2(7),3,5,9,11,13,17(22),18,20,23(30),24,27-tridecaen-15-one;4-(3,5-diphenylphenyl)-8,16,20-triazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one?
The IUPAC name of 4,20-bis(3,5-diphenylphenyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis(2,6-dipyridin-2-yl-4-pyridinyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis[3,5-di(pyrimidin-2-yl)phenyl]-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4-(3,5-diphenylphenyl)-26-thia-8,16,20-triazaoctacyclo[14.12.2.02,7.08,29.09,14.017,22.023,30.024,28]triaconta-1(29),2(7),3,5,9,11,13,17(22),18,20,23(30),24,27-tridecaen-15-one;4-(3,5-diphenylphenyl)-8,16,20-triazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one (CID 157208374) is 4,20-bis(3,5-diphenylphenyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis(2,6-dipyridin-2-yl-4-pyridinyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis[3,5-di(pyrimidin-2-yl)phenyl]-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4-(3,5-diphenylphenyl)-26-thia-8,16,20-triazaoctacyclo[14.12.2.02,7.08,29.09,14.017,22.023,30.024,28]triaconta-1(29),2(7),3,5,9,11,13,17(22),18,20,23(30),24,27-tridecaen-15-one;4-(3,5-diphenylphenyl)-8,16,20-triazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one.
What is the SMILES notation for 4,20-bis(3,5-diphenylphenyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis(2,6-dipyridin-2-yl-4-pyridinyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis[3,5-di(pyrimidin-2-yl)phenyl]-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4-(3,5-diphenylphenyl)-26-thia-8,16,20-triazaoctacyclo[14.12.2.02,7.08,29.09,14.017,22.023,30.024,28]triaconta-1(29),2(7),3,5,9,11,13,17(22),18,20,23(30),24,27-tridecaen-15-one;4-(3,5-diphenylphenyl)-8,16,20-triazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one?
The canonical SMILES for 4,20-bis(3,5-diphenylphenyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis(2,6-dipyridin-2-yl-4-pyridinyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis[3,5-di(pyrimidin-2-yl)phenyl]-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4-(3,5-diphenylphenyl)-26-thia-8,16,20-triazaoctacyclo[14.12.2.02,7.08,29.09,14.017,22.023,30.024,28]triaconta-1(29),2(7),3,5,9,11,13,17(22),18,20,23(30),24,27-tridecaen-15-one;4-(3,5-diphenylphenyl)-8,16,20-triazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one is O=c1c2ccccc2n2c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3c3c4cscc4c4c5cnccc5n1c4c32.O=c1c2ccccc2n2c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3c3ccc4c5cc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)ccc5n1c4c32.O=c1c2ccccc2n2c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3c3ccc4c5cnccc5n1c4c32.O=c1c2ccccc2n2c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3c3ccc4c5cc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)ccc5n1c4c32.O=c1c2ccccc2n2c3ccc(-c4cc(-c5ncccn5)cc(-c5ncccn5)c4)cc3c3ccc4c5cc(-c6cc(-c7ncccn7)cc(-c7ncccn7)c6)ccc5n1c4c32.
What is the InChIKey of 4,20-bis(3,5-diphenylphenyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis(2,6-dipyridin-2-yl-4-pyridinyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis[3,5-di(pyrimidin-2-yl)phenyl]-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4-(3,5-diphenylphenyl)-26-thia-8,16,20-triazaoctacyclo[14.12.2.02,7.08,29.09,14.017,22.023,30.024,28]triaconta-1(29),2(7),3,5,9,11,13,17(22),18,20,23(30),24,27-tridecaen-15-one;4-(3,5-diphenylphenyl)-8,16,20-triazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one?
The InChIKey is ARPOSEMKYRXYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N2O.C55H32N8O.C53H30N10O.C44H25N3OS.C42H25N3O/c64-61-53-23-13-14-24-56(53)62-57-29-25-43(49-33-45(39-15-5-1-6-16-39)31-46(34-49)40-17-7-2-8-18-40)37-54(57)51-27-28-52-55-38-44(26-30-58(55)63(61)60(52)59(51)62)50-35-47(41-19-9-3-10-20-41)32-48(36-50)42-21-11-4-12-22-42;64-55-39-11-1-2-16-50(39)62-51-21-17-33(35-29-46(42-12-3-7-23-56-42)60-47(30-35)43-13-4-8-24-57-43)27-40(51)37-19-20-38-41-28-34(18-22-52(41)63(55)54(38)53(37)62)36-31-48(44-14-5-9-25-58-44)61-49(32-36)45-15-6-10-26-59-45;64-53-41-7-1-2-8-44(41)62-45-13-9-31(33-23-35(49-54-15-3-16-55-49)27-36(24-33)50-56-17-4-18-57-50)29-42(45)39-11-12-40-43-30-32(10-14-46(43)63(53)48(40)47(39)62)34-25-37(51-58-19-5-20-59-51)28-38(26-34)52-60-21-6-22-61-52;48-44-32-13-7-8-14-37(32)46-38-16-15-28(31-20-29(26-9-3-1-4-10-26)19-30(21-31)27-11-5-2-6-12-27)22-33(38)40-35-24-49-25-36(35)41-34-23-45-18-17-39(34)47(44)43(41)42(40)46;46-42-34-13-7-8-14-37(34)44-38-18-15-28(24-35(38)32-16-17-33-36-25-43-20-19-39(36)45(42)41(33)40(32)44)31-22-29(26-9-3-1-4-10-26)21-30(23-31)27-11-5-2-6-12-27/h1-38H;1-32H;1-30H;1-25H;1-25H.
What are the key properties of 4,20-bis(3,5-diphenylphenyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis(2,6-dipyridin-2-yl-4-pyridinyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis[3,5-di(pyrimidin-2-yl)phenyl]-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4-(3,5-diphenylphenyl)-26-thia-8,16,20-triazaoctacyclo[14.12.2.02,7.08,29.09,14.017,22.023,30.024,28]triaconta-1(29),2(7),3,5,9,11,13,17(22),18,20,23(30),24,27-tridecaen-15-one;4-(3,5-diphenylphenyl)-8,16,20-triazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one?
4,20-bis(3,5-diphenylphenyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis(2,6-dipyridin-2-yl-4-pyridinyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis[3,5-di(pyrimidin-2-yl)phenyl]-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4-(3,5-diphenylphenyl)-26-thia-8,16,20-triazaoctacyclo[14.12.2.02,7.08,29.09,14.017,22.023,30.024,28]triaconta-1(29),2(7),3,5,9,11,13,17(22),18,20,23(30),24,27-tridecaen-15-one;4-(3,5-diphenylphenyl)-8,16,20-triazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one has a molecular weight of 3690.25 g/mol, XLogP of 59.56, 24 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 4,20-bis(3,5-diphenylphenyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis(2,6-dipyridin-2-yl-4-pyridinyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis[3,5-di(pyrimidin-2-yl)phenyl]-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4-(3,5-diphenylphenyl)-26-thia-8,16,20-triazaoctacyclo[14.12.2.02,7.08,29.09,14.017,22.023,30.024,28]triaconta-1(29),2(7),3,5,9,11,13,17(22),18,20,23(30),24,27-tridecaen-15-one;4-(3,5-diphenylphenyl)-8,16,20-triazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one is sourced from PubChem (CID 157208374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).