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

C52H42N2O2 — CID 169156685

IUPAC1,18,18,19,19,36-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
SMILESCC12CCC(C)(CC1)c1cc3c4cccc5c6c(-c7ccccc7)c7c(cc6n(c3cc1C2=O)c45)c1cccc2c3cc4c(cc3n7c21)C(=O)C(C)(C)C4(C)C
InChIInChI=1S/C52H42N2O2/c1-49(2)37-22-32-28-14-10-16-30-34-24-41-43(42(27-12-8-7-9-13-27)46(34)54(44(28)30)40(32)25-35(37)47(55)50(49,3)4)31-17-11-15-29-33-23-38-36(26-39(33)53(41)45(29)31)48(56)52(6)20-18-51(38,5)19-21-52/h7-17,22-26H,18-21H2,1-6H3
InChIKeyNQUTZHYJFFAZJC-UHFFFAOYSA-N
MW726.92 g/mol
LogP13.19
Rot. Bonds1

About 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

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 (PubChem CID 169156685) has the molecular formula C52H42N2O2 and a molecular weight of 726.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,18,18,19,19,36-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
PubChem CID169156685
Molecular FormulaC52H42N2O2
Molecular Weight726.92 g/mol
Exact Mass726.32
IUPAC Name1,18,18,19,19,36-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
SMILESCC12CCC(C)(CC1)c1cc3c4cccc5c6c(-c7ccccc7)c7c(cc6n(c3cc1C2=O)c45)c1cccc2c3cc4c(cc3n7c21)C(=O)C(C)(C)C4(C)C
InChIInChI=1S/C52H42N2O2/c1-49(2)37-22-32-28-14-10-16-30-34-24-41-43(42(27-12-8-7-9-13-27)46(34)54(44(28)30)40(32)25-35(37)47(55)50(49,3)4)31-17-11-15-29-33-23-38-36(26-39(33)53(41)45(29)31)48(56)52(6)20-18-51(38,5)19-21-52/h7-17,22-26H,18-21H2,1-6H3
InChIKeyNQUTZHYJFFAZJC-UHFFFAOYSA-N
XLogP13.19
TPSA42.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.92
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
1,18,21,38-tetramethyl-7,27-bis(2,4,6-triethylphenyl)-13,33-diazatridecacyclo[36.2.2.218,21.15,33.113,25.02,36.04,34.010,32.012,30.014,24.016,22.09,43.029,44]hexatetraconta-2(36),3,5(43),6,8,10,12(30),14,16(22),23,25(44),26,28,31,34-pentadecaene-17,37-dione
CID 176762949
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
6,9,19,22-tetramethyl-14-azadodecacyclo[28.6.2.26,9.219,22.12,26.03,13.05,11.015,25.017,23.027,37.034,38.014,39]tritetraconta-1,3,5(11),12,15,17(23),24,26(39),27(37),30,32,34(38)-dodecaene-10,18-dione
CID 164528369
1,21-dimethyl-7,27-bis(2-phenylpropan-2-yl)-18,38-di(propan-2-yl)-13,33-diazatridecacyclo[36.2.2.218,21.15,33.113,25.02,36.04,34.010,32.012,30.014,24.016,22.09,43.029,44]hexatetraconta-2(36),3,5(43),6,8,10,12(30),14,16(22),23,25(44),26,28,31,34-pentadecaene-17,37-dione
CID 169156769
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
1,27,34,44-tetramethyl-6-phenyl-8-oxa-39-azatetradecacyclo[42.2.2.15,16.02,42.04,40.07,15.09,14.017,38.019,36.020,27.020,34.021,26.028,33.039,49]nonatetraconta-2(42),3,5(49),6,9,11,13,15,17,19(36),21,23,25,28,30,32,37,40-octadecaene-35,43-dione
CID 164528273
26-tert-butyl-17,20-dimethyl-6-(1,1,3,3,5,5,7,7-octamethyl-2,6-dihydro-s-indacen-4-yl)-16-oxo-12,32-diazapentadecacyclo[35.6.6.217,20.14,32.112,24.02,36.03,33.09,31.011,29.013,23.015,21.038,43.044,49.08,50.028,51]tripentaconta-2(36),3(33),4,6,8(50),9,11(29),13,15(21),22,24(51),25,27,30,34,38,40,42,44,46,48-henicosaene-35-carbonitrile
CID 176762954
20,22-dimethyl-15,39-diazatetradecacyclo[24.15.1.14,8.16,10.120,22.128,32.02,14.03,11.015,42.016,25.018,23.027,40.033,38.039,43]hexatetraconta-1(41),2(14),3(11),12,16,18(23),24,26(42),27(40),28,30,32(43),33,35,37-pentadecaen-19-one
CID 167125481
1,18,18,20,20,36-hexamethyl-7,25-bis[tri(propan-2-yl)silyl]-13,16,31-triazadodecacyclo[34.2.2.15,9.113,23.02,34.04,32.010,30.012,28.014,22.017,21.027,41.031,42]dotetraconta-2(34),3,5(42),6,8,10(30),11,14,16,21,23,25,27(41),28,32-pentadecaen-35-one
CID 176762959
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
7,27-bis(3-ethylpentan-3-yl)-18,38-dimethyl-1,21-di(propan-2-yl)-13,33-diazatridecacyclo[36.2.2.218,21.15,33.113,25.02,36.04,34.010,32.012,30.014,24.016,22.09,43.029,44]hexatetraconta-2(36),3,5(43),6,8,10,12(30),14,16(22),23,25(44),26,28,31,34-pentadecaene-17,37-dione
CID 176762907

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC12CCC(C)(CC1)c1cc3c4cccc5c6c(-c7ccccc7)c7c(cc6n(c3cc1C2=O)c45)c1cccc2c3cc4c(cc3n7c21)C(=O)C(C)(C)C4(C)C.
What is the InChIKey of 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?
The InChIKey is NQUTZHYJFFAZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H42N2O2/c1-49(2)37-22-32-28-14-10-16-30-34-24-41-43(42(27-12-8-7-9-13-27)46(34)54(44(28)30)40(32)25-35(37)47(55)50(49,3)4)31-17-11-15-29-33-23-38-36(26-39(33)53(41)45(29)31)48(56)52(6)20-18-51(38,5)19-21-52/h7-17,22-26H,18-21H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 726.92 g/mol, XLogP of 13.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 169156685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).