20,23,29,32,64,67-hexaoxa-12,40,56,69,77,78-hexazatridecacyclo[24.24.17.46,46.12,5.17,11.124,28.141,45.147,50.151,55.014,19.033,38.058,63.170,73]octaheptaconta-1,3,5,7(76),8,10,14,16,18,24,26,28(75),33,35,37,41,43,45(74),46,48,50(69),51(68),52,54,58,60,62,70,72-nonacosaene

C66H56N6O6 — CID 101481160

IUPAC20,23,29,32,64,67-hexaoxa-12,40,56,69,77,78-hexazatridecacyclo[24.24.17.46,46.12,5.17,11.124,28.141,45.147,50.151,55.014,19.033,38.058,63.170,73]octaheptaconta-1,3,5,7(76),8,10,14,16,18,24,26,28(75),33,35,37,41,43,45(74),46,48,50(69),51(68),52,54,58,60,62,70,72-nonacosaene
SMILESC1=Cc2nc1c1c3ccc([nH]3)c3c4ccc([nH]4)c2-c2cccc(c2)NCc2ccccc2OCCOc2cc(cc(c2)OCCOc2ccccc2CNc2cccc-3c2)OCCOc2ccccc2CNc2cccc-1c2
InChIInChI=1S/C66H56N6O6/c1-4-19-61-46(10-1)40-67-49-16-7-13-43(34-49)64-55-22-24-57(70-55)65-44-14-8-17-50(35-44)68-41-47-11-2-5-20-62(47)77-32-29-74-53-37-52(73-28-31-76-61)38-54(39-53)75-30-33-78-63-21-6-3-12-48(63)42-69-51-18-9-15-45(36-51)66(58-25-23-56(64)71-58)60-27-26-59(65)72-60/h1-27,34-39,67-71H,28-33,40-42H2/b64-55-,64-56-,65-57-,65-59-,66-58-,66-60+
InChIKeyQODIKMLMFQZYTI-KVOPYDJMSA-N
MW1029.21 g/mol
LogP14.49
Rot. Bonds

About 20,23,29,32,64,67-hexaoxa-12,40,56,69,77,78-hexazatridecacyclo[24.24.17.46,46.12,5.17,11.124,28.141,45.147,50.151,55.014,19.033,38.058,63.170,73]octaheptaconta-1,3,5,7(76),8,10,14,16,18,24,26,28(75),33,35,37,41,43,45(74),46,48,50(69),51(68),52,54,58,60,62,70,72-nonacosaene

20,23,29,32,64,67-hexaoxa-12,40,56,69,77,78-hexazatridecacyclo[24.24.17.46,46.12,5.17,11.124,28.141,45.147,50.151,55.014,19.033,38.058,63.170,73]octaheptaconta-1,3,5,7(76),8,10,14,16,18,24,26,28(75),33,35,37,41,43,45(74),46,48,50(69),51(68),52,54,58,60,62,70,72-nonacosaene (PubChem CID 101481160) has the molecular formula C66H56N6O6 and a molecular weight of 1029.21 g/mol. Its IUPAC name is 20,23,29,32,64,67-hexaoxa-12,40,56,69,77,78-hexazatridecacyclo[24.24.17.46,46.12,5.17,11.124,28.141,45.147,50.151,55.014,19.033,38.058,63.170,73]octaheptaconta-1,3,5,7(76),8,10,14,16,18,24,26,28(75),33,35,37,41,43,45(74),46,48,50(69),51(68),52,54,58,60,62,70,72-nonacosaene.

Molecular Properties

Compound Name20,23,29,32,64,67-hexaoxa-12,40,56,69,77,78-hexazatridecacyclo[24.24.17.46,46.12,5.17,11.124,28.141,45.147,50.151,55.014,19.033,38.058,63.170,73]octaheptaconta-1,3,5,7(76),8,10,14,16,18,24,26,28(75),33,35,37,41,43,45(74),46,48,50(69),51(68),52,54,58,60,62,70,72-nonacosaene
PubChem CID101481160
Molecular FormulaC66H56N6O6
Molecular Weight1029.21 g/mol
Exact Mass1028.43
IUPAC Name20,23,29,32,64,67-hexaoxa-12,40,56,69,77,78-hexazatridecacyclo[24.24.17.46,46.12,5.17,11.124,28.141,45.147,50.151,55.014,19.033,38.058,63.170,73]octaheptaconta-1,3,5,7(76),8,10,14,16,18,24,26,28(75),33,35,37,41,43,45(74),46,48,50(69),51(68),52,54,58,60,62,70,72-nonacosaene
SMILESC1=Cc2nc1c1c3ccc([nH]3)c3c4ccc([nH]4)c2-c2cccc(c2)NCc2ccccc2OCCOc2cc(cc(c2)OCCOc2ccccc2CNc2cccc-3c2)OCCOc2ccccc2CNc2cccc-1c2
InChIInChI=1S/C66H56N6O6/c1-4-19-61-46(10-1)40-67-49-16-7-13-43(34-49)64-55-22-24-57(70-55)65-44-14-8-17-50(35-44)68-41-47-11-2-5-20-62(47)77-32-29-74-53-37-52(73-28-31-76-61)38-54(39-53)75-30-33-78-63-21-6-3-12-48(63)42-69-51-18-9-15-45(36-51)66(58-25-23-56(64)71-58)60-27-26-59(65)72-60/h1-27,34-39,67-71H,28-33,40-42H2/b64-55-,64-56-,65-57-,65-59-,66-58-,66-60+
InChIKeyQODIKMLMFQZYTI-KVOPYDJMSA-N
XLogP14.49
TPSA135.94 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001029.21
LogP ≤ 514.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 20,23,29,32,64,67-hexaoxa-12,40,56,69,77,78-hexazatridecacyclo[24.24.17.46,46.12,5.17,11.124,28.141,45.147,50.151,55.014,19.033,38.058,63.170,73]octaheptaconta-1,3,5,7(76),8,10,14,16,18,24,26,28(75),33,35,37,41,43,45(74),46,48,50(69),51(68),52,54,58,60,62,70,72-nonacosaene 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

5,10,15-triphenyl-20-[6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenanthren-3-yl]-21,23-dihydroporphyrin
CID 101030343
43,52-bis(1-methylpyridin-1-ium-4-yl)-8,11,14,17,22,25,28,31-octaoxa-57,58,59,60-tetrazanonacyclo[36.9.9.218,21.139,42.144,47.148,51.153,56.02,7.032,37]dohexaconta-1(48),2,4,6,18(62),19,21(61),32,34,36,38(56),39,41,43,45,47(59),49,51,53(57),54-icosaene dichloride
CID 135540888
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
5,15-bis[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-10,20-diphenyl-21,23-dihydroporphyrin
CID 136734781
5,10,15,20-tetrakis(2-pyridin-2-yl-4-pyridinyl)-21,23-dihydroporphyrin
CID 101390563
2,7,12,17-tetrakis(3-methoxyphenyl)-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,6(24),7,9,11,13(22),14,16,18-decaene
CID 10169253
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
5,10,15,20-tetrakis(3-ethynylphenyl)-21,23-dihydroporphyrin
CID 136707552
5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin
CID 135870605
3-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenol
CID 3979172
5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin
CID 135403354
3-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzonitrile
CID 136695460

Frequently Asked Questions

What is the IUPAC name of 20,23,29,32,64,67-hexaoxa-12,40,56,69,77,78-hexazatridecacyclo[24.24.17.46,46.12,5.17,11.124,28.141,45.147,50.151,55.014,19.033,38.058,63.170,73]octaheptaconta-1,3,5,7(76),8,10,14,16,18,24,26,28(75),33,35,37,41,43,45(74),46,48,50(69),51(68),52,54,58,60,62,70,72-nonacosaene?
The IUPAC name of 20,23,29,32,64,67-hexaoxa-12,40,56,69,77,78-hexazatridecacyclo[24.24.17.46,46.12,5.17,11.124,28.141,45.147,50.151,55.014,19.033,38.058,63.170,73]octaheptaconta-1,3,5,7(76),8,10,14,16,18,24,26,28(75),33,35,37,41,43,45(74),46,48,50(69),51(68),52,54,58,60,62,70,72-nonacosaene (CID 101481160) is 20,23,29,32,64,67-hexaoxa-12,40,56,69,77,78-hexazatridecacyclo[24.24.17.46,46.12,5.17,11.124,28.141,45.147,50.151,55.014,19.033,38.058,63.170,73]octaheptaconta-1,3,5,7(76),8,10,14,16,18,24,26,28(75),33,35,37,41,43,45(74),46,48,50(69),51(68),52,54,58,60,62,70,72-nonacosaene.
What is the SMILES notation for 20,23,29,32,64,67-hexaoxa-12,40,56,69,77,78-hexazatridecacyclo[24.24.17.46,46.12,5.17,11.124,28.141,45.147,50.151,55.014,19.033,38.058,63.170,73]octaheptaconta-1,3,5,7(76),8,10,14,16,18,24,26,28(75),33,35,37,41,43,45(74),46,48,50(69),51(68),52,54,58,60,62,70,72-nonacosaene?
The canonical SMILES for 20,23,29,32,64,67-hexaoxa-12,40,56,69,77,78-hexazatridecacyclo[24.24.17.46,46.12,5.17,11.124,28.141,45.147,50.151,55.014,19.033,38.058,63.170,73]octaheptaconta-1,3,5,7(76),8,10,14,16,18,24,26,28(75),33,35,37,41,43,45(74),46,48,50(69),51(68),52,54,58,60,62,70,72-nonacosaene is C1=Cc2nc1c1c3ccc([nH]3)c3c4ccc([nH]4)c2-c2cccc(c2)NCc2ccccc2OCCOc2cc(cc(c2)OCCOc2ccccc2CNc2cccc-3c2)OCCOc2ccccc2CNc2cccc-1c2.
What is the InChIKey of 20,23,29,32,64,67-hexaoxa-12,40,56,69,77,78-hexazatridecacyclo[24.24.17.46,46.12,5.17,11.124,28.141,45.147,50.151,55.014,19.033,38.058,63.170,73]octaheptaconta-1,3,5,7(76),8,10,14,16,18,24,26,28(75),33,35,37,41,43,45(74),46,48,50(69),51(68),52,54,58,60,62,70,72-nonacosaene?
The InChIKey is QODIKMLMFQZYTI-KVOPYDJMSA-N. The full InChI is InChI=1S/C66H56N6O6/c1-4-19-61-46(10-1)40-67-49-16-7-13-43(34-49)64-55-22-24-57(70-55)65-44-14-8-17-50(35-44)68-41-47-11-2-5-20-62(47)77-32-29-74-53-37-52(73-28-31-76-61)38-54(39-53)75-30-33-78-63-21-6-3-12-48(63)42-69-51-18-9-15-45(36-51)66(58-25-23-56(64)71-58)60-27-26-59(65)72-60/h1-27,34-39,67-71H,28-33,40-42H2/b64-55-,64-56-,65-57-,65-59-,66-58-,66-60+.
What are the key properties of 20,23,29,32,64,67-hexaoxa-12,40,56,69,77,78-hexazatridecacyclo[24.24.17.46,46.12,5.17,11.124,28.141,45.147,50.151,55.014,19.033,38.058,63.170,73]octaheptaconta-1,3,5,7(76),8,10,14,16,18,24,26,28(75),33,35,37,41,43,45(74),46,48,50(69),51(68),52,54,58,60,62,70,72-nonacosaene?
20,23,29,32,64,67-hexaoxa-12,40,56,69,77,78-hexazatridecacyclo[24.24.17.46,46.12,5.17,11.124,28.141,45.147,50.151,55.014,19.033,38.058,63.170,73]octaheptaconta-1,3,5,7(76),8,10,14,16,18,24,26,28(75),33,35,37,41,43,45(74),46,48,50(69),51(68),52,54,58,60,62,70,72-nonacosaene has a molecular weight of 1029.21 g/mol, XLogP of 14.49, 0 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 20,23,29,32,64,67-hexaoxa-12,40,56,69,77,78-hexazatridecacyclo[24.24.17.46,46.12,5.17,11.124,28.141,45.147,50.151,55.014,19.033,38.058,63.170,73]octaheptaconta-1,3,5,7(76),8,10,14,16,18,24,26,28(75),33,35,37,41,43,45(74),46,48,50(69),51(68),52,54,58,60,62,70,72-nonacosaene is sourced from PubChem (CID 101481160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).