1,20-dimethyl-5,16,24,35-tetraoxa-7,14,26,33-tetrazadecacyclo[18.18.2.02,19.04,17.06,15.08,13.021,38.023,36.025,34.027,32]tetraconta-2,4(17),6,8,10,12,14,18,21,23(36),25,27,29,31,33,37-hexadecaene

C34H22N4O4 — CID 86034852

IUPAC1,20-dimethyl-5,16,24,35-tetraoxa-7,14,26,33-tetrazadecacyclo[18.18.2.02,19.04,17.06,15.08,13.021,38.023,36.025,34.027,32]tetraconta-2,4(17),6,8,10,12,14,18,21,23(36),25,27,29,31,33,37-hexadecaene
SMILESCC12CCC(C)(c3cc4c(cc31)Oc1nc3ccccc3nc1O4)c1cc3c(cc12)Oc1nc2ccccc2nc1O3
InChIInChI=1S/C34H22N4O4/c1-33-11-12-34(2,19-15-27-25(13-17(19)33)39-29-31(41-27)37-23-9-5-3-7-21(23)35-29)20-16-28-26(14-18(20)33)40-30-32(42-28)38-24-10-6-4-8-22(24)36-30/h3-10,13-16H,11-12H2,1-2H3
InChIKeyJSSAMTXQKWQNIR-UHFFFAOYSA-N
MW550.57 g/mol
LogP8.09
Rot. Bonds

About 1,20-dimethyl-5,16,24,35-tetraoxa-7,14,26,33-tetrazadecacyclo[18.18.2.02,19.04,17.06,15.08,13.021,38.023,36.025,34.027,32]tetraconta-2,4(17),6,8,10,12,14,18,21,23(36),25,27,29,31,33,37-hexadecaene

1,20-dimethyl-5,16,24,35-tetraoxa-7,14,26,33-tetrazadecacyclo[18.18.2.02,19.04,17.06,15.08,13.021,38.023,36.025,34.027,32]tetraconta-2,4(17),6,8,10,12,14,18,21,23(36),25,27,29,31,33,37-hexadecaene (PubChem CID 86034852) has the molecular formula C34H22N4O4 and a molecular weight of 550.57 g/mol. Its IUPAC name is 1,20-dimethyl-5,16,24,35-tetraoxa-7,14,26,33-tetrazadecacyclo[18.18.2.02,19.04,17.06,15.08,13.021,38.023,36.025,34.027,32]tetraconta-2,4(17),6,8,10,12,14,18,21,23(36),25,27,29,31,33,37-hexadecaene.

Molecular Properties

Compound Name1,20-dimethyl-5,16,24,35-tetraoxa-7,14,26,33-tetrazadecacyclo[18.18.2.02,19.04,17.06,15.08,13.021,38.023,36.025,34.027,32]tetraconta-2,4(17),6,8,10,12,14,18,21,23(36),25,27,29,31,33,37-hexadecaene
PubChem CID86034852
Molecular FormulaC34H22N4O4
Molecular Weight550.57 g/mol
Exact Mass550.16
IUPAC Name1,20-dimethyl-5,16,24,35-tetraoxa-7,14,26,33-tetrazadecacyclo[18.18.2.02,19.04,17.06,15.08,13.021,38.023,36.025,34.027,32]tetraconta-2,4(17),6,8,10,12,14,18,21,23(36),25,27,29,31,33,37-hexadecaene
SMILESCC12CCC(C)(c3cc4c(cc31)Oc1nc3ccccc3nc1O4)c1cc3c(cc12)Oc1nc2ccccc2nc1O3
InChIInChI=1S/C34H22N4O4/c1-33-11-12-34(2,19-15-27-25(13-17(19)33)39-29-31(41-27)37-23-9-5-3-7-21(23)35-29)20-16-28-26(14-18(20)33)40-30-32(42-28)38-24-10-6-4-8-22(24)36-30/h3-10,13-16H,11-12H2,1-2H3
InChIKeyJSSAMTXQKWQNIR-UHFFFAOYSA-N
XLogP8.09
TPSA88.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.57
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1,20-dimethyl-5,16,24,35-tetraoxa-7,14,26,33-tetrazadecacyclo[18.18.2.02,19.04,17.06,15.08,13.021,38.023,36.025,34.027,32]tetraconta-2,4(17),6,8,10,12,14,18,21,23(36),25,27,29,31,33,37-hexadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,20-dimethyl-5,16,24,35-tetraoxa-7,14,26,33-tetrazadecacyclo[18.18.2.02,19.04,17.06,15.08,13.021,38.023,36.025,34.027,32]tetraconta-2,4(17),6,8,10,12,14,18,21,23(36),25,27,29,31,33,37-hexadecaene?
The IUPAC name of 1,20-dimethyl-5,16,24,35-tetraoxa-7,14,26,33-tetrazadecacyclo[18.18.2.02,19.04,17.06,15.08,13.021,38.023,36.025,34.027,32]tetraconta-2,4(17),6,8,10,12,14,18,21,23(36),25,27,29,31,33,37-hexadecaene (CID 86034852) is 1,20-dimethyl-5,16,24,35-tetraoxa-7,14,26,33-tetrazadecacyclo[18.18.2.02,19.04,17.06,15.08,13.021,38.023,36.025,34.027,32]tetraconta-2,4(17),6,8,10,12,14,18,21,23(36),25,27,29,31,33,37-hexadecaene.
What is the SMILES notation for 1,20-dimethyl-5,16,24,35-tetraoxa-7,14,26,33-tetrazadecacyclo[18.18.2.02,19.04,17.06,15.08,13.021,38.023,36.025,34.027,32]tetraconta-2,4(17),6,8,10,12,14,18,21,23(36),25,27,29,31,33,37-hexadecaene?
The canonical SMILES for 1,20-dimethyl-5,16,24,35-tetraoxa-7,14,26,33-tetrazadecacyclo[18.18.2.02,19.04,17.06,15.08,13.021,38.023,36.025,34.027,32]tetraconta-2,4(17),6,8,10,12,14,18,21,23(36),25,27,29,31,33,37-hexadecaene is CC12CCC(C)(c3cc4c(cc31)Oc1nc3ccccc3nc1O4)c1cc3c(cc12)Oc1nc2ccccc2nc1O3.
What is the InChIKey of 1,20-dimethyl-5,16,24,35-tetraoxa-7,14,26,33-tetrazadecacyclo[18.18.2.02,19.04,17.06,15.08,13.021,38.023,36.025,34.027,32]tetraconta-2,4(17),6,8,10,12,14,18,21,23(36),25,27,29,31,33,37-hexadecaene?
The InChIKey is JSSAMTXQKWQNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4O4/c1-33-11-12-34(2,19-15-27-25(13-17(19)33)39-29-31(41-27)37-23-9-5-3-7-21(23)35-29)20-16-28-26(14-18(20)33)40-30-32(42-28)38-24-10-6-4-8-22(24)36-30/h3-10,13-16H,11-12H2,1-2H3.
What are the key properties of 1,20-dimethyl-5,16,24,35-tetraoxa-7,14,26,33-tetrazadecacyclo[18.18.2.02,19.04,17.06,15.08,13.021,38.023,36.025,34.027,32]tetraconta-2,4(17),6,8,10,12,14,18,21,23(36),25,27,29,31,33,37-hexadecaene?
1,20-dimethyl-5,16,24,35-tetraoxa-7,14,26,33-tetrazadecacyclo[18.18.2.02,19.04,17.06,15.08,13.021,38.023,36.025,34.027,32]tetraconta-2,4(17),6,8,10,12,14,18,21,23(36),25,27,29,31,33,37-hexadecaene has a molecular weight of 550.57 g/mol, XLogP of 8.09, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,20-dimethyl-5,16,24,35-tetraoxa-7,14,26,33-tetrazadecacyclo[18.18.2.02,19.04,17.06,15.08,13.021,38.023,36.025,34.027,32]tetraconta-2,4(17),6,8,10,12,14,18,21,23(36),25,27,29,31,33,37-hexadecaene is sourced from PubChem (CID 86034852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).