1,17,19,19,23,33,37,37-octamethyl-9-phenyl-28-azadodecacyclo[31.5.2.217,23.15,28.02,31.04,29.06,11.014,27.016,25.018,22.034,38.013,41]tritetraconta-2(31),3,5,7,9,11,13(41),14,16(25),26,29-undecaene-24,32-dione

C56H57NO2 — CID 167125447

IUPAC1,17,19,19,23,33,37,37-octamethyl-9-phenyl-28-azadodecacyclo[31.5.2.217,23.15,28.02,31.04,29.06,11.014,27.016,25.018,22.034,38.013,41]tritetraconta-2(31),3,5,7,9,11,13(41),14,16(25),26,29-undecaene-24,32-dione
SMILESCC1(C)CCC2C1C1(C)CCC2(C)C(=O)c2cc3c(cc21)c1cc2cc(-c4ccccc4)ccc2c2c4cc5c(cc4n3c12)C(=O)C1(C)CCC5(C)C2C1CCC2(C)C
InChIInChI=1S/C56H57NO2/c1-51(2)18-16-39-47(51)53(5)20-22-55(39,7)49(58)36-28-43-34(26-41(36)53)35-25-32-24-31(30-12-10-9-11-13-30)14-15-33(32)45-38-27-42-37(29-44(38)57(43)46(35)45)50(59)56(8)23-21-54(42,6)48-40(56)17-19-52(48,3)4/h9-15,24-29,39-40,47-48H,16-23H2,1-8H3
InChIKeyBPCXZMQTZFYEIU-UHFFFAOYSA-N
MW776.08 g/mol
LogP14.27
Rot. Bonds1

About 1,17,19,19,23,33,37,37-octamethyl-9-phenyl-28-azadodecacyclo[31.5.2.217,23.15,28.02,31.04,29.06,11.014,27.016,25.018,22.034,38.013,41]tritetraconta-2(31),3,5,7,9,11,13(41),14,16(25),26,29-undecaene-24,32-dione

1,17,19,19,23,33,37,37-octamethyl-9-phenyl-28-azadodecacyclo[31.5.2.217,23.15,28.02,31.04,29.06,11.014,27.016,25.018,22.034,38.013,41]tritetraconta-2(31),3,5,7,9,11,13(41),14,16(25),26,29-undecaene-24,32-dione (PubChem CID 167125447) has the molecular formula C56H57NO2 and a molecular weight of 776.08 g/mol. Its IUPAC name is 1,17,19,19,23,33,37,37-octamethyl-9-phenyl-28-azadodecacyclo[31.5.2.217,23.15,28.02,31.04,29.06,11.014,27.016,25.018,22.034,38.013,41]tritetraconta-2(31),3,5,7,9,11,13(41),14,16(25),26,29-undecaene-24,32-dione.

Molecular Properties

Compound Name1,17,19,19,23,33,37,37-octamethyl-9-phenyl-28-azadodecacyclo[31.5.2.217,23.15,28.02,31.04,29.06,11.014,27.016,25.018,22.034,38.013,41]tritetraconta-2(31),3,5,7,9,11,13(41),14,16(25),26,29-undecaene-24,32-dione
PubChem CID167125447
Molecular FormulaC56H57NO2
Molecular Weight776.08 g/mol
Exact Mass775.44
IUPAC Name1,17,19,19,23,33,37,37-octamethyl-9-phenyl-28-azadodecacyclo[31.5.2.217,23.15,28.02,31.04,29.06,11.014,27.016,25.018,22.034,38.013,41]tritetraconta-2(31),3,5,7,9,11,13(41),14,16(25),26,29-undecaene-24,32-dione
SMILESCC1(C)CCC2C1C1(C)CCC2(C)C(=O)c2cc3c(cc21)c1cc2cc(-c4ccccc4)ccc2c2c4cc5c(cc4n3c12)C(=O)C1(C)CCC5(C)C2C1CCC2(C)C
InChIInChI=1S/C56H57NO2/c1-51(2)18-16-39-47(51)53(5)20-22-55(39,7)49(58)36-28-43-34(26-41(36)53)35-25-32-24-31(30-12-10-9-11-13-30)14-15-33(32)45-38-27-42-37(29-44(38)57(43)46(35)45)50(59)56(8)23-21-54(42,6)48-40(56)17-19-52(48,3)4/h9-15,24-29,39-40,47-48H,16-23H2,1-8H3
InChIKeyBPCXZMQTZFYEIU-UHFFFAOYSA-N
XLogP14.27
TPSA38.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.08
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,17,19,19,23,33,37,37-octamethyl-9-phenyl-28-azadodecacyclo[31.5.2.217,23.15,28.02,31.04,29.06,11.014,27.016,25.018,22.034,38.013,41]tritetraconta-2(31),3,5,7,9,11,13(41),14,16(25),26,29-undecaene-24,32-dione with MolForge

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Related Compounds

28-tert-butyl-1-azahexadecacyclo[30.22.1.02,23.04,21.06,13.07,12.013,20.014,19.024,55.025,30.033,54.035,52.036,43.037,42.043,50.044,49]pentapentaconta-2,4(21),7,9,11,14,16,18,22,24,26,28,30,32(55),33,35(52),37,39,41,44,46,48,53-tricosaene-5,51-dione
CID 167125386
1,18,18,19,19,36-hexamethyl-11-phenyl-13,31-diazadodecacyclo[34.2.2.15,9.113,23.02,34.04,32.010,30.012,28.014,22.016,20.027,41.031,42]dotetraconta-2(34),3,5(42),6,8,10(30),11,14,16(20),21,23(41),24,26,28,32-pentadecaene-17,35-dione
CID 169156685
1,27,30,40-tetramethyl-7,17-dioxa-35-azatridecacyclo[38.2.2.227,30.15,35.02,38.04,36.06,21.08,20.010,18.011,16.024,34.026,32.023,45]heptatetraconta-2(38),3,5(45),6(21),8(20),9,11,13,15,18,22,24,26(32),33,36-pentadecaene-31,39-dione
CID 167124729
9-tert-butyl-29-azatetradecacyclo[32.6.6.617,24.15,29.02,32.04,30.06,11.014,28.016,26.018,23.035,40.041,46.013,47.048,53]tripentaconta-2(32),3,5,7,9,11,13(47),14,16(26),18,20,22,27,30,35,37,39,41,43,45,48,50,52-tricosaene-25,33-dione
CID 171432581
7-phenyl-7,21,50-triazanonadecacyclo[53.2.2.213,16.226,29.242,45.15,50.19,33.02,53.04,51.06,36.08,35.010,20.012,18.022,32.024,30.039,49.041,47.021,63.038,60]heptahexaconta-2(53),3,5,8,10,12(18),19,22,24(30),31,33(63),34,36,38(60),39,41(47),48,51-octadecaene-17,25,46,54-tetrone
CID 164528431
14-chloro-6,22-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene
CID 146376667
4-(9,9-dimethylfluoren-2-yl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(3,5-diphenylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(3-phenylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(4-propan-2-ylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene
CID 158495806
7-(4-tert-butyl-2,6-diphenylphenyl)-1,28-dimethyl-23-azadecacyclo[26.2.2.15,23.112,16.114,18.02,26.04,24.010,22.011,19.09,33]pentatriaconta-2(26),3,5(33),6,8,10(22),11(19),20,24-nonaen-27-one
CID 164528373
17-azaheptacyclo[15.10.1.02,7.09,28.010,15.018,27.020,25]octacosa-1(28),2,4,6,8,10,12,14,18,20,22,24,26-tridecaen-16-one
CID 137401452
7-(1,3-diphenyldibenzofuran-4-yl)-1,13,20,30-tetramethyl-25-azatridecacyclo[28.6.6.613,20.15,25.02,28.04,26.010,24.012,22.014,19.031,36.037,42.09,43.044,49]nonatetraconta-2(28),3,5,7,9(43),10,12(22),14,16,18,23,26,31,33,35,37,39,41,44,46,48-henicosaene-21,29-dione
CID 167125422
7,14-ditert-butyl-1,20,23,38-tetramethyl-28,33-diazatridecacyclo[36.2.2.220,23.15,33.112,28.02,36.04,34.010,32.011,29.017,27.019,25.09,43.016,44]hexatetraconta-2(36),3,5(43),6,8,10(32),11(29),12,14,16(44),17,19(25),26,30,34-pentadecaene-24,37-dione
CID 169156688
26,26-dimethyl-1-azaoctacyclo[14.13.1.02,7.08,30.010,15.017,29.019,27.020,25]triaconta-2,4,6,8,10,12,14,16(30),17,19(27),20,22,24,28-tetradecaene
CID 146376501

Frequently Asked Questions

What is the IUPAC name of 1,17,19,19,23,33,37,37-octamethyl-9-phenyl-28-azadodecacyclo[31.5.2.217,23.15,28.02,31.04,29.06,11.014,27.016,25.018,22.034,38.013,41]tritetraconta-2(31),3,5,7,9,11,13(41),14,16(25),26,29-undecaene-24,32-dione?
The IUPAC name of 1,17,19,19,23,33,37,37-octamethyl-9-phenyl-28-azadodecacyclo[31.5.2.217,23.15,28.02,31.04,29.06,11.014,27.016,25.018,22.034,38.013,41]tritetraconta-2(31),3,5,7,9,11,13(41),14,16(25),26,29-undecaene-24,32-dione (CID 167125447) is 1,17,19,19,23,33,37,37-octamethyl-9-phenyl-28-azadodecacyclo[31.5.2.217,23.15,28.02,31.04,29.06,11.014,27.016,25.018,22.034,38.013,41]tritetraconta-2(31),3,5,7,9,11,13(41),14,16(25),26,29-undecaene-24,32-dione.
What is the SMILES notation for 1,17,19,19,23,33,37,37-octamethyl-9-phenyl-28-azadodecacyclo[31.5.2.217,23.15,28.02,31.04,29.06,11.014,27.016,25.018,22.034,38.013,41]tritetraconta-2(31),3,5,7,9,11,13(41),14,16(25),26,29-undecaene-24,32-dione?
The canonical SMILES for 1,17,19,19,23,33,37,37-octamethyl-9-phenyl-28-azadodecacyclo[31.5.2.217,23.15,28.02,31.04,29.06,11.014,27.016,25.018,22.034,38.013,41]tritetraconta-2(31),3,5,7,9,11,13(41),14,16(25),26,29-undecaene-24,32-dione is CC1(C)CCC2C1C1(C)CCC2(C)C(=O)c2cc3c(cc21)c1cc2cc(-c4ccccc4)ccc2c2c4cc5c(cc4n3c12)C(=O)C1(C)CCC5(C)C2C1CCC2(C)C.
What is the InChIKey of 1,17,19,19,23,33,37,37-octamethyl-9-phenyl-28-azadodecacyclo[31.5.2.217,23.15,28.02,31.04,29.06,11.014,27.016,25.018,22.034,38.013,41]tritetraconta-2(31),3,5,7,9,11,13(41),14,16(25),26,29-undecaene-24,32-dione?
The InChIKey is BPCXZMQTZFYEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H57NO2/c1-51(2)18-16-39-47(51)53(5)20-22-55(39,7)49(58)36-28-43-34(26-41(36)53)35-25-32-24-31(30-12-10-9-11-13-30)14-15-33(32)45-38-27-42-37(29-44(38)57(43)46(35)45)50(59)56(8)23-21-54(42,6)48-40(56)17-19-52(48,3)4/h9-15,24-29,39-40,47-48H,16-23H2,1-8H3.
What are the key properties of 1,17,19,19,23,33,37,37-octamethyl-9-phenyl-28-azadodecacyclo[31.5.2.217,23.15,28.02,31.04,29.06,11.014,27.016,25.018,22.034,38.013,41]tritetraconta-2(31),3,5,7,9,11,13(41),14,16(25),26,29-undecaene-24,32-dione?
1,17,19,19,23,33,37,37-octamethyl-9-phenyl-28-azadodecacyclo[31.5.2.217,23.15,28.02,31.04,29.06,11.014,27.016,25.018,22.034,38.013,41]tritetraconta-2(31),3,5,7,9,11,13(41),14,16(25),26,29-undecaene-24,32-dione has a molecular weight of 776.08 g/mol, XLogP of 14.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,17,19,19,23,33,37,37-octamethyl-9-phenyl-28-azadodecacyclo[31.5.2.217,23.15,28.02,31.04,29.06,11.014,27.016,25.018,22.034,38.013,41]tritetraconta-2(31),3,5,7,9,11,13(41),14,16(25),26,29-undecaene-24,32-dione is sourced from PubChem (CID 167125447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).