24-methyl-3,13,24-triazadecacyclo[16.14.2.219,22.14,8.02,13.015,33.020,29.021,26.030,34.012,37]heptatriaconta-1(33),2,4,6,8(37),9,11,15,17,19(36),20(29),21(26),22(35),27,30(34),31-hexadecaene-14,23,25-trione

C35H17N3O3 — CID 15514287

IUPAC24-methyl-3,13,24-triazadecacyclo[16.14.2.219,22.14,8.02,13.015,33.020,29.021,26.030,34.012,37]heptatriaconta-1(33),2,4,6,8(37),9,11,15,17,19(36),20(29),21(26),22(35),27,30(34),31-hexadecaene-14,23,25-trione
SMILESCN1C(=O)c2ccc3c4ccc5c(=O)n6c7cccc8cccc(nc6c6ccc(c9ccc(c2c39)C1=O)c4c56)c87
InChIInChI=1S/C35H17N3O3/c1-37-33(39)22-13-9-19-17-8-12-21-30-24(15-11-18(28(17)30)20-10-14-23(34(37)40)31(22)29(19)20)35(41)38-26-7-3-5-16-4-2-6-25(27(16)26)36-32(21)38/h2-15H,1H3
InChIKeyDFHRXILNMNANNB-UHFFFAOYSA-N
MW527.54 g/mol
LogP6.87
Rot. Bonds

About 24-methyl-3,13,24-triazadecacyclo[16.14.2.219,22.14,8.02,13.015,33.020,29.021,26.030,34.012,37]heptatriaconta-1(33),2,4,6,8(37),9,11,15,17,19(36),20(29),21(26),22(35),27,30(34),31-hexadecaene-14,23,25-trione

24-methyl-3,13,24-triazadecacyclo[16.14.2.219,22.14,8.02,13.015,33.020,29.021,26.030,34.012,37]heptatriaconta-1(33),2,4,6,8(37),9,11,15,17,19(36),20(29),21(26),22(35),27,30(34),31-hexadecaene-14,23,25-trione (PubChem CID 15514287) has the molecular formula C35H17N3O3 and a molecular weight of 527.54 g/mol. Its IUPAC name is 24-methyl-3,13,24-triazadecacyclo[16.14.2.219,22.14,8.02,13.015,33.020,29.021,26.030,34.012,37]heptatriaconta-1(33),2,4,6,8(37),9,11,15,17,19(36),20(29),21(26),22(35),27,30(34),31-hexadecaene-14,23,25-trione.

Molecular Properties

Compound Name24-methyl-3,13,24-triazadecacyclo[16.14.2.219,22.14,8.02,13.015,33.020,29.021,26.030,34.012,37]heptatriaconta-1(33),2,4,6,8(37),9,11,15,17,19(36),20(29),21(26),22(35),27,30(34),31-hexadecaene-14,23,25-trione
PubChem CID15514287
Molecular FormulaC35H17N3O3
Molecular Weight527.54 g/mol
Exact Mass527.13
IUPAC Name24-methyl-3,13,24-triazadecacyclo[16.14.2.219,22.14,8.02,13.015,33.020,29.021,26.030,34.012,37]heptatriaconta-1(33),2,4,6,8(37),9,11,15,17,19(36),20(29),21(26),22(35),27,30(34),31-hexadecaene-14,23,25-trione
SMILESCN1C(=O)c2ccc3c4ccc5c(=O)n6c7cccc8cccc(nc6c6ccc(c9ccc(c2c39)C1=O)c4c56)c87
InChIInChI=1S/C35H17N3O3/c1-37-33(39)22-13-9-19-17-8-12-21-30-24(15-11-18(28(17)30)20-10-14-23(34(37)40)31(22)29(19)20)35(41)38-26-7-3-5-16-4-2-6-25(27(16)26)36-32(21)38/h2-15H,1H3
InChIKeyDFHRXILNMNANNB-UHFFFAOYSA-N
XLogP6.87
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.54
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 24-methyl-3,13,24-triazadecacyclo[16.14.2.219,22.14,8.02,13.015,33.020,29.021,26.030,34.012,37]heptatriaconta-1(33),2,4,6,8(37),9,11,15,17,19(36),20(29),21(26),22(35),27,30(34),31-hexadecaene-14,23,25-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 24-methyl-3,13,24-triazadecacyclo[16.14.2.219,22.14,8.02,13.015,33.020,29.021,26.030,34.012,37]heptatriaconta-1(33),2,4,6,8(37),9,11,15,17,19(36),20(29),21(26),22(35),27,30(34),31-hexadecaene-14,23,25-trione?
The IUPAC name of 24-methyl-3,13,24-triazadecacyclo[16.14.2.219,22.14,8.02,13.015,33.020,29.021,26.030,34.012,37]heptatriaconta-1(33),2,4,6,8(37),9,11,15,17,19(36),20(29),21(26),22(35),27,30(34),31-hexadecaene-14,23,25-trione (CID 15514287) is 24-methyl-3,13,24-triazadecacyclo[16.14.2.219,22.14,8.02,13.015,33.020,29.021,26.030,34.012,37]heptatriaconta-1(33),2,4,6,8(37),9,11,15,17,19(36),20(29),21(26),22(35),27,30(34),31-hexadecaene-14,23,25-trione.
What is the SMILES notation for 24-methyl-3,13,24-triazadecacyclo[16.14.2.219,22.14,8.02,13.015,33.020,29.021,26.030,34.012,37]heptatriaconta-1(33),2,4,6,8(37),9,11,15,17,19(36),20(29),21(26),22(35),27,30(34),31-hexadecaene-14,23,25-trione?
The canonical SMILES for 24-methyl-3,13,24-triazadecacyclo[16.14.2.219,22.14,8.02,13.015,33.020,29.021,26.030,34.012,37]heptatriaconta-1(33),2,4,6,8(37),9,11,15,17,19(36),20(29),21(26),22(35),27,30(34),31-hexadecaene-14,23,25-trione is CN1C(=O)c2ccc3c4ccc5c(=O)n6c7cccc8cccc(nc6c6ccc(c9ccc(c2c39)C1=O)c4c56)c87.
What is the InChIKey of 24-methyl-3,13,24-triazadecacyclo[16.14.2.219,22.14,8.02,13.015,33.020,29.021,26.030,34.012,37]heptatriaconta-1(33),2,4,6,8(37),9,11,15,17,19(36),20(29),21(26),22(35),27,30(34),31-hexadecaene-14,23,25-trione?
The InChIKey is DFHRXILNMNANNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H17N3O3/c1-37-33(39)22-13-9-19-17-8-12-21-30-24(15-11-18(28(17)30)20-10-14-23(34(37)40)31(22)29(19)20)35(41)38-26-7-3-5-16-4-2-6-25(27(16)26)36-32(21)38/h2-15H,1H3.
What are the key properties of 24-methyl-3,13,24-triazadecacyclo[16.14.2.219,22.14,8.02,13.015,33.020,29.021,26.030,34.012,37]heptatriaconta-1(33),2,4,6,8(37),9,11,15,17,19(36),20(29),21(26),22(35),27,30(34),31-hexadecaene-14,23,25-trione?
24-methyl-3,13,24-triazadecacyclo[16.14.2.219,22.14,8.02,13.015,33.020,29.021,26.030,34.012,37]heptatriaconta-1(33),2,4,6,8(37),9,11,15,17,19(36),20(29),21(26),22(35),27,30(34),31-hexadecaene-14,23,25-trione has a molecular weight of 527.54 g/mol, XLogP of 6.87, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 24-methyl-3,13,24-triazadecacyclo[16.14.2.219,22.14,8.02,13.015,33.020,29.021,26.030,34.012,37]heptatriaconta-1(33),2,4,6,8(37),9,11,15,17,19(36),20(29),21(26),22(35),27,30(34),31-hexadecaene-14,23,25-trione is sourced from PubChem (CID 15514287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).