23-methyl-3-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1,4,6,8,10,12,15,17,19,21-decaene;23-methyl-9-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1,3,5,7,10,12,15,17,19,21-decaene;16-methyl-3-thia-5,14,16,23-tetrazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4(9),5,7,11,14,17,19,21-decaene;21-methyl-9-thia-7,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3(8),4,6,11,15,17,19,22-decaene;21-methyl-10-thia-8,14,21,23-tetrazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4(9),5,7,11,15,17,19,22-decaene;16-methyl-9-thia-14,16,23-triazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3,5,7,11,14,17,19,21-decaene;16-methyl-10-thia-14,16,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene

C135H86N26O2S5 — CID 157195747

IUPAC23-methyl-3-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1,4,6,8,10,12,15,17,19,21-decaene;23-methyl-9-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1,3,5,7,10,12,15,17,19,21-decaene;16-methyl-3-thia-5,14,16,23-tetrazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4(9),5,7,11,14,17,19,21-decaene;21-methyl-9-thia-7,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3(8),4,6,11,15,17,19,22-decaene;21-methyl-10-thia-8,14,21,23-tetrazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4(9),5,7,11,15,17,19,22-decaene;16-methyl-9-thia-14,16,23-triazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3,5,7,11,14,17,19,21-decaene;16-methyl-10-thia-14,16,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene
SMILESCn1c2c3c(ncc2n2c4ccccc4nc12)oc1ccccc13.Cn1c2c3oc4ccccc4c3ncc2n2c3ccccc3nc12.Cn1c2ccccc2n2c3c(ccc4c5cccnc5sc43)nc12.Cn1c2ccccc2n2c3c(ccc4sc5ccccc5c43)nc12.Cn1c2ccccc2n2c3cc4c(cc3nc12)sc1ccccc14.Cn1c2ccccc2n2c3cc4sc5ncccc5c4cc3nc12.Cn1c2ccccc2n2c3ccc4sc5ncccc5c4c3nc12
InChIInChI=1S/2C20H13N3S.2C19H12N4O.3C19H12N4S/c1-22-15-7-3-4-8-16(15)23-17-10-13-12-6-2-5-9-18(12)24-19(13)11-14(17)21-20(22)23;1-22-14-7-3-4-8-15(14)23-19-13(21-20(22)23)10-11-17-18(19)12-6-2-5-9-16(12)24-17;1-22-17-14(23-13-8-4-3-7-12(13)21-19(22)23)10-20-16-11-6-2-5-9-15(11)24-18(16)17;1-22-17-14(23-13-8-4-3-7-12(13)21-19(22)23)10-20-18-16(17)11-6-2-5-9-15(11)24-18;1-22-14-6-2-3-7-15(14)23-16-13(21-19(22)23)9-8-11-12-5-4-10-20-18(12)24-17(11)16;1-22-12-6-2-3-7-13(12)23-14-8-9-15-16(17(14)21-19(22)23)11-5-4-10-20-18(11)24-15;1-22-14-6-2-3-7-15(14)23-16-10-17-12(9-13(16)21-19(22)23)11-5-4-8-20-18(11)24-17/h2*2-11H,1H3;5*2-10H,1H3
InChIKeyAQFPEEMANKZDIZ-UHFFFAOYSA-N
MW2264.69 g/mol
LogP33.47
Rot. Bonds

About 23-methyl-3-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1,4,6,8,10,12,15,17,19,21-decaene;23-methyl-9-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1,3,5,7,10,12,15,17,19,21-decaene;16-methyl-3-thia-5,14,16,23-tetrazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4(9),5,7,11,14,17,19,21-decaene;21-methyl-9-thia-7,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3(8),4,6,11,15,17,19,22-decaene;21-methyl-10-thia-8,14,21,23-tetrazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4(9),5,7,11,15,17,19,22-decaene;16-methyl-9-thia-14,16,23-triazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3,5,7,11,14,17,19,21-decaene;16-methyl-10-thia-14,16,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene

23-methyl-3-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1,4,6,8,10,12,15,17,19,21-decaene;23-methyl-9-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1,3,5,7,10,12,15,17,19,21-decaene;16-methyl-3-thia-5,14,16,23-tetrazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4(9),5,7,11,14,17,19,21-decaene;21-methyl-9-thia-7,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3(8),4,6,11,15,17,19,22-decaene;21-methyl-10-thia-8,14,21,23-tetrazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4(9),5,7,11,15,17,19,22-decaene;16-methyl-9-thia-14,16,23-triazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3,5,7,11,14,17,19,21-decaene;16-methyl-10-thia-14,16,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene (PubChem CID 157195747) has the molecular formula C135H86N26O2S5 and a molecular weight of 2264.69 g/mol. Its IUPAC name is 23-methyl-3-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1,4,6,8,10,12,15,17,19,21-decaene;23-methyl-9-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1,3,5,7,10,12,15,17,19,21-decaene;16-methyl-3-thia-5,14,16,23-tetrazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4(9),5,7,11,14,17,19,21-decaene;21-methyl-9-thia-7,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3(8),4,6,11,15,17,19,22-decaene;21-methyl-10-thia-8,14,21,23-tetrazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4(9),5,7,11,15,17,19,22-decaene;16-methyl-9-thia-14,16,23-triazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3,5,7,11,14,17,19,21-decaene;16-methyl-10-thia-14,16,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene.

Molecular Properties

Compound Name23-methyl-3-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1,4,6,8,10,12,15,17,19,21-decaene;23-methyl-9-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1,3,5,7,10,12,15,17,19,21-decaene;16-methyl-3-thia-5,14,16,23-tetrazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4(9),5,7,11,14,17,19,21-decaene;21-methyl-9-thia-7,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3(8),4,6,11,15,17,19,22-decaene;21-methyl-10-thia-8,14,21,23-tetrazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4(9),5,7,11,15,17,19,22-decaene;16-methyl-9-thia-14,16,23-triazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3,5,7,11,14,17,19,21-decaene;16-methyl-10-thia-14,16,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene
PubChem CID157195747
Molecular FormulaC135H86N26O2S5
Molecular Weight2264.69 g/mol
Exact Mass2262.60
IUPAC Name23-methyl-3-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1,4,6,8,10,12,15,17,19,21-decaene;23-methyl-9-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1,3,5,7,10,12,15,17,19,21-decaene;16-methyl-3-thia-5,14,16,23-tetrazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4(9),5,7,11,14,17,19,21-decaene;21-methyl-9-thia-7,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3(8),4,6,11,15,17,19,22-decaene;21-methyl-10-thia-8,14,21,23-tetrazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4(9),5,7,11,15,17,19,22-decaene;16-methyl-9-thia-14,16,23-triazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3,5,7,11,14,17,19,21-decaene;16-methyl-10-thia-14,16,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene
SMILESCn1c2c3c(ncc2n2c4ccccc4nc12)oc1ccccc13.Cn1c2c3oc4ccccc4c3ncc2n2c3ccccc3nc12.Cn1c2ccccc2n2c3c(ccc4c5cccnc5sc43)nc12.Cn1c2ccccc2n2c3c(ccc4sc5ccccc5c43)nc12.Cn1c2ccccc2n2c3cc4c(cc3nc12)sc1ccccc14.Cn1c2ccccc2n2c3cc4sc5ncccc5c4cc3nc12.Cn1c2ccccc2n2c3ccc4sc5ncccc5c4c3nc12
InChIInChI=1S/2C20H13N3S.2C19H12N4O.3C19H12N4S/c1-22-15-7-3-4-8-16(15)23-17-10-13-12-6-2-5-9-18(12)24-19(13)11-14(17)21-20(22)23;1-22-14-7-3-4-8-15(14)23-19-13(21-20(22)23)10-11-17-18(19)12-6-2-5-9-16(12)24-17;1-22-17-14(23-13-8-4-3-7-12(13)21-19(22)23)10-20-16-11-6-2-5-9-15(11)24-18(16)17;1-22-17-14(23-13-8-4-3-7-12(13)21-19(22)23)10-20-18-16(17)11-6-2-5-9-15(11)24-18;1-22-14-6-2-3-7-15(14)23-16-13(21-19(22)23)9-8-11-12-5-4-10-20-18(12)24-17(11)16;1-22-12-6-2-3-7-13(12)23-14-8-9-15-16(17(14)21-19(22)23)11-5-4-10-20-18(11)24-15;1-22-14-6-2-3-7-15(14)23-16-10-17-12(9-13(16)21-19(22)23)11-5-4-8-20-18(11)24-17/h2*2-11H,1H3;5*2-10H,1H3
InChIKeyAQFPEEMANKZDIZ-UHFFFAOYSA-N
XLogP33.47
TPSA246.34 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002264.69
LogP ≤ 533.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze 23-methyl-3-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1,4,6,8,10,12,15,17,19,21-decaene;23-methyl-9-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1,3,5,7,10,12,15,17,19,21-decaene;16-methyl-3-thia-5,14,16,23-tetrazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4(9),5,7,11,14,17,19,21-decaene;21-methyl-9-thia-7,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3(8),4,6,11,15,17,19,22-decaene;21-methyl-10-thia-8,14,21,23-tetrazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4(9),5,7,11,15,17,19,22-decaene;16-methyl-9-thia-14,16,23-triazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3,5,7,11,14,17,19,21-decaene;16-methyl-10-thia-14,16,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 23-methyl-3-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1,4,6,8,10,12,15,17,19,21-decaene;23-methyl-9-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1,3,5,7,10,12,15,17,19,21-decaene;16-methyl-3-thia-5,14,16,23-tetrazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4(9),5,7,11,14,17,19,21-decaene;21-methyl-9-thia-7,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3(8),4,6,11,15,17,19,22-decaene;21-methyl-10-thia-8,14,21,23-tetrazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4(9),5,7,11,15,17,19,22-decaene;16-methyl-9-thia-14,16,23-triazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3,5,7,11,14,17,19,21-decaene;16-methyl-10-thia-14,16,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene?
The IUPAC name of 23-methyl-3-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1,4,6,8,10,12,15,17,19,21-decaene;23-methyl-9-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1,3,5,7,10,12,15,17,19,21-decaene;16-methyl-3-thia-5,14,16,23-tetrazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4(9),5,7,11,14,17,19,21-decaene;21-methyl-9-thia-7,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3(8),4,6,11,15,17,19,22-decaene;21-methyl-10-thia-8,14,21,23-tetrazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4(9),5,7,11,15,17,19,22-decaene;16-methyl-9-thia-14,16,23-triazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3,5,7,11,14,17,19,21-decaene;16-methyl-10-thia-14,16,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene (CID 157195747) is 23-methyl-3-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1,4,6,8,10,12,15,17,19,21-decaene;23-methyl-9-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1,3,5,7,10,12,15,17,19,21-decaene;16-methyl-3-thia-5,14,16,23-tetrazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4(9),5,7,11,14,17,19,21-decaene;21-methyl-9-thia-7,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3(8),4,6,11,15,17,19,22-decaene;21-methyl-10-thia-8,14,21,23-tetrazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4(9),5,7,11,15,17,19,22-decaene;16-methyl-9-thia-14,16,23-triazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3,5,7,11,14,17,19,21-decaene;16-methyl-10-thia-14,16,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene.
What is the SMILES notation for 23-methyl-3-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1,4,6,8,10,12,15,17,19,21-decaene;23-methyl-9-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1,3,5,7,10,12,15,17,19,21-decaene;16-methyl-3-thia-5,14,16,23-tetrazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4(9),5,7,11,14,17,19,21-decaene;21-methyl-9-thia-7,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3(8),4,6,11,15,17,19,22-decaene;21-methyl-10-thia-8,14,21,23-tetrazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4(9),5,7,11,15,17,19,22-decaene;16-methyl-9-thia-14,16,23-triazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3,5,7,11,14,17,19,21-decaene;16-methyl-10-thia-14,16,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene?
The canonical SMILES for 23-methyl-3-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1,4,6,8,10,12,15,17,19,21-decaene;23-methyl-9-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1,3,5,7,10,12,15,17,19,21-decaene;16-methyl-3-thia-5,14,16,23-tetrazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4(9),5,7,11,14,17,19,21-decaene;21-methyl-9-thia-7,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3(8),4,6,11,15,17,19,22-decaene;21-methyl-10-thia-8,14,21,23-tetrazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4(9),5,7,11,15,17,19,22-decaene;16-methyl-9-thia-14,16,23-triazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3,5,7,11,14,17,19,21-decaene;16-methyl-10-thia-14,16,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene is Cn1c2c3c(ncc2n2c4ccccc4nc12)oc1ccccc13.Cn1c2c3oc4ccccc4c3ncc2n2c3ccccc3nc12.Cn1c2ccccc2n2c3c(ccc4c5cccnc5sc43)nc12.Cn1c2ccccc2n2c3c(ccc4sc5ccccc5c43)nc12.Cn1c2ccccc2n2c3cc4c(cc3nc12)sc1ccccc14.Cn1c2ccccc2n2c3cc4sc5ncccc5c4cc3nc12.Cn1c2ccccc2n2c3ccc4sc5ncccc5c4c3nc12.
What is the InChIKey of 23-methyl-3-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1,4,6,8,10,12,15,17,19,21-decaene;23-methyl-9-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1,3,5,7,10,12,15,17,19,21-decaene;16-methyl-3-thia-5,14,16,23-tetrazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4(9),5,7,11,14,17,19,21-decaene;21-methyl-9-thia-7,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3(8),4,6,11,15,17,19,22-decaene;21-methyl-10-thia-8,14,21,23-tetrazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4(9),5,7,11,15,17,19,22-decaene;16-methyl-9-thia-14,16,23-triazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3,5,7,11,14,17,19,21-decaene;16-methyl-10-thia-14,16,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene?
The InChIKey is AQFPEEMANKZDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H13N3S.2C19H12N4O.3C19H12N4S/c1-22-15-7-3-4-8-16(15)23-17-10-13-12-6-2-5-9-18(12)24-19(13)11-14(17)21-20(22)23;1-22-14-7-3-4-8-15(14)23-19-13(21-20(22)23)10-11-17-18(19)12-6-2-5-9-16(12)24-17;1-22-17-14(23-13-8-4-3-7-12(13)21-19(22)23)10-20-16-11-6-2-5-9-15(11)24-18(16)17;1-22-17-14(23-13-8-4-3-7-12(13)21-19(22)23)10-20-18-16(17)11-6-2-5-9-15(11)24-18;1-22-14-6-2-3-7-15(14)23-16-13(21-19(22)23)9-8-11-12-5-4-10-20-18(12)24-17(11)16;1-22-12-6-2-3-7-13(12)23-14-8-9-15-16(17(14)21-19(22)23)11-5-4-10-20-18(11)24-15;1-22-14-6-2-3-7-15(14)23-16-10-17-12(9-13(16)21-19(22)23)11-5-4-8-20-18(11)24-17/h2*2-11H,1H3;5*2-10H,1H3.
What are the key properties of 23-methyl-3-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1,4,6,8,10,12,15,17,19,21-decaene;23-methyl-9-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1,3,5,7,10,12,15,17,19,21-decaene;16-methyl-3-thia-5,14,16,23-tetrazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4(9),5,7,11,14,17,19,21-decaene;21-methyl-9-thia-7,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3(8),4,6,11,15,17,19,22-decaene;21-methyl-10-thia-8,14,21,23-tetrazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4(9),5,7,11,15,17,19,22-decaene;16-methyl-9-thia-14,16,23-triazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3,5,7,11,14,17,19,21-decaene;16-methyl-10-thia-14,16,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene?
23-methyl-3-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1,4,6,8,10,12,15,17,19,21-decaene;23-methyl-9-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1,3,5,7,10,12,15,17,19,21-decaene;16-methyl-3-thia-5,14,16,23-tetrazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4(9),5,7,11,14,17,19,21-decaene;21-methyl-9-thia-7,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3(8),4,6,11,15,17,19,22-decaene;21-methyl-10-thia-8,14,21,23-tetrazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4(9),5,7,11,15,17,19,22-decaene;16-methyl-9-thia-14,16,23-triazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3,5,7,11,14,17,19,21-decaene;16-methyl-10-thia-14,16,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene has a molecular weight of 2264.69 g/mol, XLogP of 33.47, 0 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 23-methyl-3-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1,4,6,8,10,12,15,17,19,21-decaene;23-methyl-9-oxa-11,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1,3,5,7,10,12,15,17,19,21-decaene;16-methyl-3-thia-5,14,16,23-tetrazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4(9),5,7,11,14,17,19,21-decaene;21-methyl-9-thia-7,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3(8),4,6,11,15,17,19,22-decaene;21-methyl-10-thia-8,14,21,23-tetrazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4(9),5,7,11,15,17,19,22-decaene;16-methyl-9-thia-14,16,23-triazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3,5,7,11,14,17,19,21-decaene;16-methyl-10-thia-14,16,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene is sourced from PubChem (CID 157195747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).