3,11,20,28-tetrazanonacyclo[18.14.1.13,10.04,9.012,17.021,26.027,35.029,34.018,36]hexatriaconta-1(35),4,6,8,10,12,14,16,18(36),21,23,25,27,29,31,33-hexadecaene-2,19-dione

C32H16N4O2 — CID 44566385

IUPAC3,11,20,28-tetrazanonacyclo[18.14.1.13,10.04,9.012,17.021,26.027,35.029,34.018,36]hexatriaconta-1(35),4,6,8,10,12,14,16,18(36),21,23,25,27,29,31,33-hexadecaene-2,19-dione
SMILESO=c1c2c3ccccc3nc3c4ccccc4n(c(=O)c4c5ccccc5nc5c6ccccc6n1c54)c32
InChIInChI=1S/C32H16N4O2/c37-31-25-17-9-1-5-13-21(17)33-27-19-11-3-7-15-23(19)35(29(25)27)32(38)26-18-10-2-6-14-22(18)34-28-20-12-4-8-16-24(20)36(31)30(26)28/h1-16H
InChIKeyVSCKKHZCPFJCGI-UHFFFAOYSA-N
MW488.51 g/mol
LogP6.06
Rot. Bonds

About 3,11,20,28-tetrazanonacyclo[18.14.1.13,10.04,9.012,17.021,26.027,35.029,34.018,36]hexatriaconta-1(35),4,6,8,10,12,14,16,18(36),21,23,25,27,29,31,33-hexadecaene-2,19-dione

3,11,20,28-tetrazanonacyclo[18.14.1.13,10.04,9.012,17.021,26.027,35.029,34.018,36]hexatriaconta-1(35),4,6,8,10,12,14,16,18(36),21,23,25,27,29,31,33-hexadecaene-2,19-dione (PubChem CID 44566385) has the molecular formula C32H16N4O2 and a molecular weight of 488.51 g/mol. Its IUPAC name is 3,11,20,28-tetrazanonacyclo[18.14.1.13,10.04,9.012,17.021,26.027,35.029,34.018,36]hexatriaconta-1(35),4,6,8,10,12,14,16,18(36),21,23,25,27,29,31,33-hexadecaene-2,19-dione.

Molecular Properties

Compound Name3,11,20,28-tetrazanonacyclo[18.14.1.13,10.04,9.012,17.021,26.027,35.029,34.018,36]hexatriaconta-1(35),4,6,8,10,12,14,16,18(36),21,23,25,27,29,31,33-hexadecaene-2,19-dione
PubChem CID44566385
Molecular FormulaC32H16N4O2
Molecular Weight488.51 g/mol
Exact Mass488.13
IUPAC Name3,11,20,28-tetrazanonacyclo[18.14.1.13,10.04,9.012,17.021,26.027,35.029,34.018,36]hexatriaconta-1(35),4,6,8,10,12,14,16,18(36),21,23,25,27,29,31,33-hexadecaene-2,19-dione
SMILESO=c1c2c3ccccc3nc3c4ccccc4n(c(=O)c4c5ccccc5nc5c6ccccc6n1c54)c32
InChIInChI=1S/C32H16N4O2/c37-31-25-17-9-1-5-13-21(17)33-27-19-11-3-7-15-23(19)35(29(25)27)32(38)26-18-10-2-6-14-22(18)34-28-20-12-4-8-16-24(20)36(31)30(26)28/h1-16H
InChIKeyVSCKKHZCPFJCGI-UHFFFAOYSA-N
XLogP6.06
TPSA68.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.51
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,11,20,28-tetrazanonacyclo[18.14.1.13,10.04,9.012,17.021,26.027,35.029,34.018,36]hexatriaconta-1(35),4,6,8,10,12,14,16,18(36),21,23,25,27,29,31,33-hexadecaene-2,19-dione 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 3,11,20,28-tetrazanonacyclo[18.14.1.13,10.04,9.012,17.021,26.027,35.029,34.018,36]hexatriaconta-1(35),4,6,8,10,12,14,16,18(36),21,23,25,27,29,31,33-hexadecaene-2,19-dione?
The IUPAC name of 3,11,20,28-tetrazanonacyclo[18.14.1.13,10.04,9.012,17.021,26.027,35.029,34.018,36]hexatriaconta-1(35),4,6,8,10,12,14,16,18(36),21,23,25,27,29,31,33-hexadecaene-2,19-dione (CID 44566385) is 3,11,20,28-tetrazanonacyclo[18.14.1.13,10.04,9.012,17.021,26.027,35.029,34.018,36]hexatriaconta-1(35),4,6,8,10,12,14,16,18(36),21,23,25,27,29,31,33-hexadecaene-2,19-dione.
What is the SMILES notation for 3,11,20,28-tetrazanonacyclo[18.14.1.13,10.04,9.012,17.021,26.027,35.029,34.018,36]hexatriaconta-1(35),4,6,8,10,12,14,16,18(36),21,23,25,27,29,31,33-hexadecaene-2,19-dione?
The canonical SMILES for 3,11,20,28-tetrazanonacyclo[18.14.1.13,10.04,9.012,17.021,26.027,35.029,34.018,36]hexatriaconta-1(35),4,6,8,10,12,14,16,18(36),21,23,25,27,29,31,33-hexadecaene-2,19-dione is O=c1c2c3ccccc3nc3c4ccccc4n(c(=O)c4c5ccccc5nc5c6ccccc6n1c54)c32.
What is the InChIKey of 3,11,20,28-tetrazanonacyclo[18.14.1.13,10.04,9.012,17.021,26.027,35.029,34.018,36]hexatriaconta-1(35),4,6,8,10,12,14,16,18(36),21,23,25,27,29,31,33-hexadecaene-2,19-dione?
The InChIKey is VSCKKHZCPFJCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H16N4O2/c37-31-25-17-9-1-5-13-21(17)33-27-19-11-3-7-15-23(19)35(29(25)27)32(38)26-18-10-2-6-14-22(18)34-28-20-12-4-8-16-24(20)36(31)30(26)28/h1-16H.
What are the key properties of 3,11,20,28-tetrazanonacyclo[18.14.1.13,10.04,9.012,17.021,26.027,35.029,34.018,36]hexatriaconta-1(35),4,6,8,10,12,14,16,18(36),21,23,25,27,29,31,33-hexadecaene-2,19-dione?
3,11,20,28-tetrazanonacyclo[18.14.1.13,10.04,9.012,17.021,26.027,35.029,34.018,36]hexatriaconta-1(35),4,6,8,10,12,14,16,18(36),21,23,25,27,29,31,33-hexadecaene-2,19-dione has a molecular weight of 488.51 g/mol, XLogP of 6.06, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,11,20,28-tetrazanonacyclo[18.14.1.13,10.04,9.012,17.021,26.027,35.029,34.018,36]hexatriaconta-1(35),4,6,8,10,12,14,16,18(36),21,23,25,27,29,31,33-hexadecaene-2,19-dione is sourced from PubChem (CID 44566385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).