26,26-dimethyl-1-azaoctadecacyclo[37.22.1.02,23.04,21.06,13.07,12.013,20.014,19.024,62.025,37.027,36.029,34.040,61.042,59.043,50.044,49.050,57.051,56]dohexaconta-2,4(21),7,9,11,14,16,18,22,24(62),25(37),27,29,31,33,35,38,40,42(59),44,46,48,51,53,55,60-hexacosaene-5,58-dione

C63H37NO2 — CID 167125410

IUPAC26,26-dimethyl-1-azaoctadecacyclo[37.22.1.02,23.04,21.06,13.07,12.013,20.014,19.024,62.025,37.027,36.029,34.040,61.042,59.043,50.044,49.050,57.051,56]dohexaconta-2,4(21),7,9,11,14,16,18,22,24(62),25(37),27,29,31,33,35,38,40,42(59),44,46,48,51,53,55,60-hexacosaene-5,58-dione
SMILESCC1(C)c2cc3ccccc3cc2-c2cc3c4cc5c(cc4n4c6cc7c(cc6c(c21)c34)C1c2ccccc2C12c1ccccc1C2C7=O)C(=O)C1c2ccccc2C12c1ccccc1C52
InChIInChI=1S/C63H37NO2/c1-61(2)49-24-31-14-4-3-13-30(31)23-36(49)38-26-41-37-25-39-42(59(65)56-34-17-7-11-21-47(34)62(56)45-19-9-5-15-32(45)53(39)62)28-50(37)64-51-29-43-40(27-44(51)52(55(38)61)58(41)64)54-33-16-6-10-20-46(33)63(54)48-22-12-8-18-35(48)57(63)60(43)66/h3-29,53-54,56-57H,1-2H3
InChIKeyXOVPNUVUGJJEDB-UHFFFAOYSA-N
MW839.99 g/mol
LogP13.75
Rot. Bonds

About 26,26-dimethyl-1-azaoctadecacyclo[37.22.1.02,23.04,21.06,13.07,12.013,20.014,19.024,62.025,37.027,36.029,34.040,61.042,59.043,50.044,49.050,57.051,56]dohexaconta-2,4(21),7,9,11,14,16,18,22,24(62),25(37),27,29,31,33,35,38,40,42(59),44,46,48,51,53,55,60-hexacosaene-5,58-dione

26,26-dimethyl-1-azaoctadecacyclo[37.22.1.02,23.04,21.06,13.07,12.013,20.014,19.024,62.025,37.027,36.029,34.040,61.042,59.043,50.044,49.050,57.051,56]dohexaconta-2,4(21),7,9,11,14,16,18,22,24(62),25(37),27,29,31,33,35,38,40,42(59),44,46,48,51,53,55,60-hexacosaene-5,58-dione (PubChem CID 167125410) has the molecular formula C63H37NO2 and a molecular weight of 839.99 g/mol. Its IUPAC name is 26,26-dimethyl-1-azaoctadecacyclo[37.22.1.02,23.04,21.06,13.07,12.013,20.014,19.024,62.025,37.027,36.029,34.040,61.042,59.043,50.044,49.050,57.051,56]dohexaconta-2,4(21),7,9,11,14,16,18,22,24(62),25(37),27,29,31,33,35,38,40,42(59),44,46,48,51,53,55,60-hexacosaene-5,58-dione.

Molecular Properties

Compound Name26,26-dimethyl-1-azaoctadecacyclo[37.22.1.02,23.04,21.06,13.07,12.013,20.014,19.024,62.025,37.027,36.029,34.040,61.042,59.043,50.044,49.050,57.051,56]dohexaconta-2,4(21),7,9,11,14,16,18,22,24(62),25(37),27,29,31,33,35,38,40,42(59),44,46,48,51,53,55,60-hexacosaene-5,58-dione
PubChem CID167125410
Molecular FormulaC63H37NO2
Molecular Weight839.99 g/mol
Exact Mass839.28
IUPAC Name26,26-dimethyl-1-azaoctadecacyclo[37.22.1.02,23.04,21.06,13.07,12.013,20.014,19.024,62.025,37.027,36.029,34.040,61.042,59.043,50.044,49.050,57.051,56]dohexaconta-2,4(21),7,9,11,14,16,18,22,24(62),25(37),27,29,31,33,35,38,40,42(59),44,46,48,51,53,55,60-hexacosaene-5,58-dione
SMILESCC1(C)c2cc3ccccc3cc2-c2cc3c4cc5c(cc4n4c6cc7c(cc6c(c21)c34)C1c2ccccc2C12c1ccccc1C2C7=O)C(=O)C1c2ccccc2C12c1ccccc1C52
InChIInChI=1S/C63H37NO2/c1-61(2)49-24-31-14-4-3-13-30(31)23-36(49)38-26-41-37-25-39-42(59(65)56-34-17-7-11-21-47(34)62(56)45-19-9-5-15-32(45)53(39)62)28-50(37)64-51-29-43-40(27-44(51)52(55(38)61)58(41)64)54-33-16-6-10-20-46(33)63(54)48-22-12-8-18-35(48)57(63)60(43)66/h3-29,53-54,56-57H,1-2H3
InChIKeyXOVPNUVUGJJEDB-UHFFFAOYSA-N
XLogP13.75
TPSA38.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.99
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 26,26-dimethyl-1-azaoctadecacyclo[37.22.1.02,23.04,21.06,13.07,12.013,20.014,19.024,62.025,37.027,36.029,34.040,61.042,59.043,50.044,49.050,57.051,56]dohexaconta-2,4(21),7,9,11,14,16,18,22,24(62),25(37),27,29,31,33,35,38,40,42(59),44,46,48,51,53,55,60-hexacosaene-5,58-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

26,26-dimethyl-1-azaheptadecacyclo[33.22.1.02,23.04,21.06,20.07,12.013,20.014,19.024,58.025,33.027,32.036,57.038,55.039,46.039,53.040,45.047,52]octapentaconta-2,4(21),7,9,11,14,16,18,22,24(58),25(33),27,29,31,34,36,38(55),40,42,44,47,49,51,56-tetracosaene-5,54-dione
CID 167125452
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
CID 167124732
CID 167124732
29,33-ditert-butyl-26-oxa-1-azaoctadecacyclo[36.22.1.127,31.02,23.04,21.06,13.07,12.013,20.014,19.024,61.025,36.039,60.041,58.042,49.043,48.049,56.050,55.035,62]dohexaconta-2,4(21),7,9,11,14,16,18,22,24(61),25(36),27,29,31,33,35(62),37,39,41(58),43,45,47,50,52,54,59-hexacosaene-5,57-dione
CID 164528524
6,6,13,13-tetramethyl-1,4-diazatetradecacyclo[26.22.1.117,27.120,24.02,15.05,14.07,12.016,51.029,50.031,48.032,39.033,38.039,46.040,45]tripentaconta-2,4,7,9,11,14,16,20,22,24(53),27(52),28(51),29,31(48),33,35,37,40,42,44,49-henicosaen-47-one
CID 167124952
43-oxa-18-azaoctadecacyclo[46.6.6.210,13.16,18.02,47.03,44.04,42.07,17.09,15.019,40.021,38.023,37.024,29.030,37.031,36.049,54.055,60.041,61]trihexaconta-2(47),3(44),4(42),5,7,9(15),16,19,21(38),24,26,28,31,33,35,39,41(61),45,49,51,53,55,57,59-tetracosaene-14,22-dione
CID 164528548
26-(11-phenylindolo[2,3-a]carbazol-12-yl)-1-azapentadecacyclo[26.22.1.02,23.04,21.06,20.07,12.013,20.014,19.024,51.029,50.031,48.032,39.032,46.033,38.040,45]henpentaconta-2,4(21),7,9,11,14,16,18,22,24,26,28(51),29,31(48),33,35,37,40,42,44,49-henicosaene-5,47-dione
CID 164528294
17,17-dimethyl-4,12-di(propan-2-yl)-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene
CID 176726676
CID 164528439
CID 164528439
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
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
17,17-dimethyl-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene-5,11-dicarbonitrile
CID 164528712

Frequently Asked Questions

What is the IUPAC name of 26,26-dimethyl-1-azaoctadecacyclo[37.22.1.02,23.04,21.06,13.07,12.013,20.014,19.024,62.025,37.027,36.029,34.040,61.042,59.043,50.044,49.050,57.051,56]dohexaconta-2,4(21),7,9,11,14,16,18,22,24(62),25(37),27,29,31,33,35,38,40,42(59),44,46,48,51,53,55,60-hexacosaene-5,58-dione?
The IUPAC name of 26,26-dimethyl-1-azaoctadecacyclo[37.22.1.02,23.04,21.06,13.07,12.013,20.014,19.024,62.025,37.027,36.029,34.040,61.042,59.043,50.044,49.050,57.051,56]dohexaconta-2,4(21),7,9,11,14,16,18,22,24(62),25(37),27,29,31,33,35,38,40,42(59),44,46,48,51,53,55,60-hexacosaene-5,58-dione (CID 167125410) is 26,26-dimethyl-1-azaoctadecacyclo[37.22.1.02,23.04,21.06,13.07,12.013,20.014,19.024,62.025,37.027,36.029,34.040,61.042,59.043,50.044,49.050,57.051,56]dohexaconta-2,4(21),7,9,11,14,16,18,22,24(62),25(37),27,29,31,33,35,38,40,42(59),44,46,48,51,53,55,60-hexacosaene-5,58-dione.
What is the SMILES notation for 26,26-dimethyl-1-azaoctadecacyclo[37.22.1.02,23.04,21.06,13.07,12.013,20.014,19.024,62.025,37.027,36.029,34.040,61.042,59.043,50.044,49.050,57.051,56]dohexaconta-2,4(21),7,9,11,14,16,18,22,24(62),25(37),27,29,31,33,35,38,40,42(59),44,46,48,51,53,55,60-hexacosaene-5,58-dione?
The canonical SMILES for 26,26-dimethyl-1-azaoctadecacyclo[37.22.1.02,23.04,21.06,13.07,12.013,20.014,19.024,62.025,37.027,36.029,34.040,61.042,59.043,50.044,49.050,57.051,56]dohexaconta-2,4(21),7,9,11,14,16,18,22,24(62),25(37),27,29,31,33,35,38,40,42(59),44,46,48,51,53,55,60-hexacosaene-5,58-dione is CC1(C)c2cc3ccccc3cc2-c2cc3c4cc5c(cc4n4c6cc7c(cc6c(c21)c34)C1c2ccccc2C12c1ccccc1C2C7=O)C(=O)C1c2ccccc2C12c1ccccc1C52.
What is the InChIKey of 26,26-dimethyl-1-azaoctadecacyclo[37.22.1.02,23.04,21.06,13.07,12.013,20.014,19.024,62.025,37.027,36.029,34.040,61.042,59.043,50.044,49.050,57.051,56]dohexaconta-2,4(21),7,9,11,14,16,18,22,24(62),25(37),27,29,31,33,35,38,40,42(59),44,46,48,51,53,55,60-hexacosaene-5,58-dione?
The InChIKey is XOVPNUVUGJJEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H37NO2/c1-61(2)49-24-31-14-4-3-13-30(31)23-36(49)38-26-41-37-25-39-42(59(65)56-34-17-7-11-21-47(34)62(56)45-19-9-5-15-32(45)53(39)62)28-50(37)64-51-29-43-40(27-44(51)52(55(38)61)58(41)64)54-33-16-6-10-20-46(33)63(54)48-22-12-8-18-35(48)57(63)60(43)66/h3-29,53-54,56-57H,1-2H3.
What are the key properties of 26,26-dimethyl-1-azaoctadecacyclo[37.22.1.02,23.04,21.06,13.07,12.013,20.014,19.024,62.025,37.027,36.029,34.040,61.042,59.043,50.044,49.050,57.051,56]dohexaconta-2,4(21),7,9,11,14,16,18,22,24(62),25(37),27,29,31,33,35,38,40,42(59),44,46,48,51,53,55,60-hexacosaene-5,58-dione?
26,26-dimethyl-1-azaoctadecacyclo[37.22.1.02,23.04,21.06,13.07,12.013,20.014,19.024,62.025,37.027,36.029,34.040,61.042,59.043,50.044,49.050,57.051,56]dohexaconta-2,4(21),7,9,11,14,16,18,22,24(62),25(37),27,29,31,33,35,38,40,42(59),44,46,48,51,53,55,60-hexacosaene-5,58-dione has a molecular weight of 839.99 g/mol, XLogP of 13.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 26,26-dimethyl-1-azaoctadecacyclo[37.22.1.02,23.04,21.06,13.07,12.013,20.014,19.024,62.025,37.027,36.029,34.040,61.042,59.043,50.044,49.050,57.051,56]dohexaconta-2,4(21),7,9,11,14,16,18,22,24(62),25(37),27,29,31,33,35,38,40,42(59),44,46,48,51,53,55,60-hexacosaene-5,58-dione is sourced from PubChem (CID 167125410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).