(15R)-31,32,33,36-tetrazanonacyclo[24.2.2.212,15.13,24.15,8.110,17.119,22.02,25.011,16]hexatriaconta-2(25),3,5,7,9,11(16),12(35),17,19,21,23,26(30)-dodecaene-13,27-dione

C32H24N4O2 — CID 90966715

IUPAC(15R)-31,32,33,36-tetrazanonacyclo[24.2.2.212,15.13,24.15,8.110,17.119,22.02,25.011,16]hexatriaconta-2(25),3,5,7,9,11(16),12(35),17,19,21,23,26(30)-dodecaene-13,27-dione
SMILESO=C1CC2CC=C1c1c2c2[nH]c1=Cc1ccc([nH]1)C=c1[nH]c(c3c1[C@@H]1CC=C3C(=O)C1)=Cc1ccc([nH]1)C=2
InChIInChI=1S/C32H24N4O2/c37-27-9-15-1-7-21(27)31-25-13-19-6-4-18(34-19)12-24-30-16-2-8-22(28(38)10-16)32(30)26(36-24)14-20-5-3-17(33-20)11-23(35-25)29(15)31/h3-8,11-16,33-36H,1-2,9-10H2/t15-,16?/m1/s1
InChIKeyGMHWOJJWUYGQHY-AAFJCEBUSA-N
MW496.57 g/mol
LogP2.31
Rot. Bonds

About (15R)-31,32,33,36-tetrazanonacyclo[24.2.2.212,15.13,24.15,8.110,17.119,22.02,25.011,16]hexatriaconta-2(25),3,5,7,9,11(16),12(35),17,19,21,23,26(30)-dodecaene-13,27-dione

(15R)-31,32,33,36-tetrazanonacyclo[24.2.2.212,15.13,24.15,8.110,17.119,22.02,25.011,16]hexatriaconta-2(25),3,5,7,9,11(16),12(35),17,19,21,23,26(30)-dodecaene-13,27-dione (PubChem CID 90966715) has the molecular formula C32H24N4O2 and a molecular weight of 496.57 g/mol. Its IUPAC name is (15R)-31,32,33,36-tetrazanonacyclo[24.2.2.212,15.13,24.15,8.110,17.119,22.02,25.011,16]hexatriaconta-2(25),3,5,7,9,11(16),12(35),17,19,21,23,26(30)-dodecaene-13,27-dione.

Molecular Properties

Compound Name(15R)-31,32,33,36-tetrazanonacyclo[24.2.2.212,15.13,24.15,8.110,17.119,22.02,25.011,16]hexatriaconta-2(25),3,5,7,9,11(16),12(35),17,19,21,23,26(30)-dodecaene-13,27-dione
PubChem CID90966715
Molecular FormulaC32H24N4O2
Molecular Weight496.57 g/mol
Exact Mass496.19
IUPAC Name(15R)-31,32,33,36-tetrazanonacyclo[24.2.2.212,15.13,24.15,8.110,17.119,22.02,25.011,16]hexatriaconta-2(25),3,5,7,9,11(16),12(35),17,19,21,23,26(30)-dodecaene-13,27-dione
SMILESO=C1CC2CC=C1c1c2c2[nH]c1=Cc1ccc([nH]1)C=c1[nH]c(c3c1[C@@H]1CC=C3C(=O)C1)=Cc1ccc([nH]1)C=2
InChIInChI=1S/C32H24N4O2/c37-27-9-15-1-7-21(27)31-25-13-19-6-4-18(34-19)12-24-30-16-2-8-22(28(38)10-16)32(30)26(36-24)14-20-5-3-17(33-20)11-23(35-25)29(15)31/h3-8,11-16,33-36H,1-2,9-10H2/t15-,16?/m1/s1
InChIKeyGMHWOJJWUYGQHY-AAFJCEBUSA-N
XLogP2.31
TPSA97.30 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 52.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze (15R)-31,32,33,36-tetrazanonacyclo[24.2.2.212,15.13,24.15,8.110,17.119,22.02,25.011,16]hexatriaconta-2(25),3,5,7,9,11(16),12(35),17,19,21,23,26(30)-dodecaene-13,27-dione with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (15R)-31,32,33,36-tetrazanonacyclo[24.2.2.212,15.13,24.15,8.110,17.119,22.02,25.011,16]hexatriaconta-2(25),3,5,7,9,11(16),12(35),17,19,21,23,26(30)-dodecaene-13,27-dione?
The IUPAC name of (15R)-31,32,33,36-tetrazanonacyclo[24.2.2.212,15.13,24.15,8.110,17.119,22.02,25.011,16]hexatriaconta-2(25),3,5,7,9,11(16),12(35),17,19,21,23,26(30)-dodecaene-13,27-dione (CID 90966715) is (15R)-31,32,33,36-tetrazanonacyclo[24.2.2.212,15.13,24.15,8.110,17.119,22.02,25.011,16]hexatriaconta-2(25),3,5,7,9,11(16),12(35),17,19,21,23,26(30)-dodecaene-13,27-dione.
What is the SMILES notation for (15R)-31,32,33,36-tetrazanonacyclo[24.2.2.212,15.13,24.15,8.110,17.119,22.02,25.011,16]hexatriaconta-2(25),3,5,7,9,11(16),12(35),17,19,21,23,26(30)-dodecaene-13,27-dione?
The canonical SMILES for (15R)-31,32,33,36-tetrazanonacyclo[24.2.2.212,15.13,24.15,8.110,17.119,22.02,25.011,16]hexatriaconta-2(25),3,5,7,9,11(16),12(35),17,19,21,23,26(30)-dodecaene-13,27-dione is O=C1CC2CC=C1c1c2c2[nH]c1=Cc1ccc([nH]1)C=c1[nH]c(c3c1[C@@H]1CC=C3C(=O)C1)=Cc1ccc([nH]1)C=2.
What is the InChIKey of (15R)-31,32,33,36-tetrazanonacyclo[24.2.2.212,15.13,24.15,8.110,17.119,22.02,25.011,16]hexatriaconta-2(25),3,5,7,9,11(16),12(35),17,19,21,23,26(30)-dodecaene-13,27-dione?
The InChIKey is GMHWOJJWUYGQHY-AAFJCEBUSA-N. The full InChI is InChI=1S/C32H24N4O2/c37-27-9-15-1-7-21(27)31-25-13-19-6-4-18(34-19)12-24-30-16-2-8-22(28(38)10-16)32(30)26(36-24)14-20-5-3-17(33-20)11-23(35-25)29(15)31/h3-8,11-16,33-36H,1-2,9-10H2/t15-,16?/m1/s1.
What are the key properties of (15R)-31,32,33,36-tetrazanonacyclo[24.2.2.212,15.13,24.15,8.110,17.119,22.02,25.011,16]hexatriaconta-2(25),3,5,7,9,11(16),12(35),17,19,21,23,26(30)-dodecaene-13,27-dione?
(15R)-31,32,33,36-tetrazanonacyclo[24.2.2.212,15.13,24.15,8.110,17.119,22.02,25.011,16]hexatriaconta-2(25),3,5,7,9,11(16),12(35),17,19,21,23,26(30)-dodecaene-13,27-dione has a molecular weight of 496.57 g/mol, XLogP of 2.31, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (15R)-31,32,33,36-tetrazanonacyclo[24.2.2.212,15.13,24.15,8.110,17.119,22.02,25.011,16]hexatriaconta-2(25),3,5,7,9,11(16),12(35),17,19,21,23,26(30)-dodecaene-13,27-dione is sourced from PubChem (CID 90966715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).