32,34-dimethoxy-1,9,16,24-tetrazaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-3(34),4,6,10,12,14,18,20,22(32),25,27,29-dodecaene-31,33-dione

C32H28N4O4 — CID 10530295

IUPAC32,34-dimethoxy-1,9,16,24-tetrazaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-3(34),4,6,10,12,14,18,20,22(32),25,27,29-dodecaene-31,33-dione
SMILESCOc1c2cccc1Cn1c(=O)n(c3ccccc31)Cc1cccc(c1OC)Cn1c(=O)n(c3ccccc31)C2
InChIInChI=1S/C32H28N4O4/c1-39-29-21-9-7-10-22(29)18-34-26-14-4-6-16-28(26)36(32(34)38)20-24-12-8-11-23(30(24)40-2)19-35-27-15-5-3-13-25(27)33(17-21)31(35)37/h3-16H,17-20H2,1-2H3
InChIKeyMWOCXLLCCIJEAD-UHFFFAOYSA-N
MW532.60 g/mol
LogP4.44
Rot. Bonds2

About 32,34-dimethoxy-1,9,16,24-tetrazaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-3(34),4,6,10,12,14,18,20,22(32),25,27,29-dodecaene-31,33-dione

32,34-dimethoxy-1,9,16,24-tetrazaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-3(34),4,6,10,12,14,18,20,22(32),25,27,29-dodecaene-31,33-dione (PubChem CID 10530295) has the molecular formula C32H28N4O4 and a molecular weight of 532.60 g/mol. Its IUPAC name is 32,34-dimethoxy-1,9,16,24-tetrazaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-3(34),4,6,10,12,14,18,20,22(32),25,27,29-dodecaene-31,33-dione.

Molecular Properties

Compound Name32,34-dimethoxy-1,9,16,24-tetrazaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-3(34),4,6,10,12,14,18,20,22(32),25,27,29-dodecaene-31,33-dione
PubChem CID10530295
Molecular FormulaC32H28N4O4
Molecular Weight532.60 g/mol
Exact Mass532.21
IUPAC Name32,34-dimethoxy-1,9,16,24-tetrazaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-3(34),4,6,10,12,14,18,20,22(32),25,27,29-dodecaene-31,33-dione
SMILESCOc1c2cccc1Cn1c(=O)n(c3ccccc31)Cc1cccc(c1OC)Cn1c(=O)n(c3ccccc31)C2
InChIInChI=1S/C32H28N4O4/c1-39-29-21-9-7-10-22(29)18-34-26-14-4-6-16-28(26)36(32(34)38)20-24-12-8-11-23(30(24)40-2)19-35-27-15-5-3-13-25(27)33(17-21)31(35)37/h3-16H,17-20H2,1-2H3
InChIKeyMWOCXLLCCIJEAD-UHFFFAOYSA-N
XLogP4.44
TPSA72.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.60
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 32,34-dimethoxy-1,9,16,24-tetrazaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-3(34),4,6,10,12,14,18,20,22(32),25,27,29-dodecaene-31,33-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 32,34-dimethoxy-1,9,16,24-tetrazaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-3(34),4,6,10,12,14,18,20,22(32),25,27,29-dodecaene-31,33-dione?
The IUPAC name of 32,34-dimethoxy-1,9,16,24-tetrazaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-3(34),4,6,10,12,14,18,20,22(32),25,27,29-dodecaene-31,33-dione (CID 10530295) is 32,34-dimethoxy-1,9,16,24-tetrazaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-3(34),4,6,10,12,14,18,20,22(32),25,27,29-dodecaene-31,33-dione.
What is the SMILES notation for 32,34-dimethoxy-1,9,16,24-tetrazaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-3(34),4,6,10,12,14,18,20,22(32),25,27,29-dodecaene-31,33-dione?
The canonical SMILES for 32,34-dimethoxy-1,9,16,24-tetrazaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-3(34),4,6,10,12,14,18,20,22(32),25,27,29-dodecaene-31,33-dione is COc1c2cccc1Cn1c(=O)n(c3ccccc31)Cc1cccc(c1OC)Cn1c(=O)n(c3ccccc31)C2.
What is the InChIKey of 32,34-dimethoxy-1,9,16,24-tetrazaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-3(34),4,6,10,12,14,18,20,22(32),25,27,29-dodecaene-31,33-dione?
The InChIKey is MWOCXLLCCIJEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4O4/c1-39-29-21-9-7-10-22(29)18-34-26-14-4-6-16-28(26)36(32(34)38)20-24-12-8-11-23(30(24)40-2)19-35-27-15-5-3-13-25(27)33(17-21)31(35)37/h3-16H,17-20H2,1-2H3.
What are the key properties of 32,34-dimethoxy-1,9,16,24-tetrazaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-3(34),4,6,10,12,14,18,20,22(32),25,27,29-dodecaene-31,33-dione?
32,34-dimethoxy-1,9,16,24-tetrazaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-3(34),4,6,10,12,14,18,20,22(32),25,27,29-dodecaene-31,33-dione has a molecular weight of 532.60 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 32,34-dimethoxy-1,9,16,24-tetrazaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-3(34),4,6,10,12,14,18,20,22(32),25,27,29-dodecaene-31,33-dione is sourced from PubChem (CID 10530295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).