1,10,19,28-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-3(40),4,6,8,12(39),13,15,17,21(38),22,24,26,30(37),31,33,35-hexadecaene-2,11,20,29-tetrone

C36H20N4O4 — CID 15229602

IUPAC1,10,19,28-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-3(40),4,6,8,12(39),13,15,17,21(38),22,24,26,30(37),31,33,35-hexadecaene-2,11,20,29-tetrone
SMILESO=C1c2cn(c3ccccc23)C(=O)c2cn(c3ccccc23)C(=O)c2cn(c3ccccc23)C(=O)c2cn1c1ccccc21
InChIInChI=1S/C36H20N4O4/c41-33-25-17-37(29-13-5-1-9-21(25)29)34(42)26-19-39(31-15-7-3-10-22(26)31)36(44)28-20-40(32-16-8-4-12-24(28)32)35(43)27-18-38(33)30-14-6-2-11-23(27)30/h1-20H
InChIKeySURKXWNLHHYCAS-UHFFFAOYSA-N
MW572.58 g/mol
LogP6.57
Rot. Bonds

About 1,10,19,28-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-3(40),4,6,8,12(39),13,15,17,21(38),22,24,26,30(37),31,33,35-hexadecaene-2,11,20,29-tetrone

1,10,19,28-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-3(40),4,6,8,12(39),13,15,17,21(38),22,24,26,30(37),31,33,35-hexadecaene-2,11,20,29-tetrone (PubChem CID 15229602) has the molecular formula C36H20N4O4 and a molecular weight of 572.58 g/mol. Its IUPAC name is 1,10,19,28-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-3(40),4,6,8,12(39),13,15,17,21(38),22,24,26,30(37),31,33,35-hexadecaene-2,11,20,29-tetrone.

Molecular Properties

Compound Name1,10,19,28-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-3(40),4,6,8,12(39),13,15,17,21(38),22,24,26,30(37),31,33,35-hexadecaene-2,11,20,29-tetrone
PubChem CID15229602
Molecular FormulaC36H20N4O4
Molecular Weight572.58 g/mol
Exact Mass572.15
IUPAC Name1,10,19,28-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-3(40),4,6,8,12(39),13,15,17,21(38),22,24,26,30(37),31,33,35-hexadecaene-2,11,20,29-tetrone
SMILESO=C1c2cn(c3ccccc23)C(=O)c2cn(c3ccccc23)C(=O)c2cn(c3ccccc23)C(=O)c2cn1c1ccccc21
InChIInChI=1S/C36H20N4O4/c41-33-25-17-37(29-13-5-1-9-21(25)29)34(42)26-19-39(31-15-7-3-10-22(26)31)36(44)28-20-40(32-16-8-4-12-24(28)32)35(43)27-18-38(33)30-14-6-2-11-23(27)30/h1-20H
InChIKeySURKXWNLHHYCAS-UHFFFAOYSA-N
XLogP6.57
TPSA88.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.58
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1,10,19,28-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-3(40),4,6,8,12(39),13,15,17,21(38),22,24,26,30(37),31,33,35-hexadecaene-2,11,20,29-tetrone with MolForge

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Related Compounds

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3-(1-methyl-1H-indol-3-yl)-4-(1-phenyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
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3-(1,2-dimethyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327698
2-[1-(3-Dimethylaminopropyl)-1H-indol-3-yl]-3-(1H-indol-3-yl)-maleimide
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3-{1H,2H,3H-benzo[b]pyrrolizin-9-yl}-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327735
3-[2-(aminomethyl)-1H,2H,3H-benzo[b]pyrrolizin-9-yl]-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327738
3-(1-methyl-1H-indol-3-yl)-4-{1-[3-(methylamino)propyl]-1H-indol-3-yl}-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327935
Bisindolylmaleimide 9
CID 5327936
1-methyl-N-phenyl-1H-indole-3-carboxamide
CID 9038340

Frequently Asked Questions

What is the IUPAC name of 1,10,19,28-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-3(40),4,6,8,12(39),13,15,17,21(38),22,24,26,30(37),31,33,35-hexadecaene-2,11,20,29-tetrone?
The IUPAC name of 1,10,19,28-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-3(40),4,6,8,12(39),13,15,17,21(38),22,24,26,30(37),31,33,35-hexadecaene-2,11,20,29-tetrone (CID 15229602) is 1,10,19,28-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-3(40),4,6,8,12(39),13,15,17,21(38),22,24,26,30(37),31,33,35-hexadecaene-2,11,20,29-tetrone.
What is the SMILES notation for 1,10,19,28-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-3(40),4,6,8,12(39),13,15,17,21(38),22,24,26,30(37),31,33,35-hexadecaene-2,11,20,29-tetrone?
The canonical SMILES for 1,10,19,28-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-3(40),4,6,8,12(39),13,15,17,21(38),22,24,26,30(37),31,33,35-hexadecaene-2,11,20,29-tetrone is O=C1c2cn(c3ccccc23)C(=O)c2cn(c3ccccc23)C(=O)c2cn(c3ccccc23)C(=O)c2cn1c1ccccc21.
What is the InChIKey of 1,10,19,28-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-3(40),4,6,8,12(39),13,15,17,21(38),22,24,26,30(37),31,33,35-hexadecaene-2,11,20,29-tetrone?
The InChIKey is SURKXWNLHHYCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20N4O4/c41-33-25-17-37(29-13-5-1-9-21(25)29)34(42)26-19-39(31-15-7-3-10-22(26)31)36(44)28-20-40(32-16-8-4-12-24(28)32)35(43)27-18-38(33)30-14-6-2-11-23(27)30/h1-20H.
What are the key properties of 1,10,19,28-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-3(40),4,6,8,12(39),13,15,17,21(38),22,24,26,30(37),31,33,35-hexadecaene-2,11,20,29-tetrone?
1,10,19,28-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-3(40),4,6,8,12(39),13,15,17,21(38),22,24,26,30(37),31,33,35-hexadecaene-2,11,20,29-tetrone has a molecular weight of 572.58 g/mol, XLogP of 6.57, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10,19,28-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-3(40),4,6,8,12(39),13,15,17,21(38),22,24,26,30(37),31,33,35-hexadecaene-2,11,20,29-tetrone is sourced from PubChem (CID 15229602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).