7,10,24,27-tetramethoxy-5,17,29-triazaheptacyclo[16.12.0.03,16.04,13.06,11.021,30.023,28]triaconta-1(18),2,4,6,8,10,12,16,21,23,25,27,29-tridecaene

C31H27N3O4 — CID 10029175

IUPAC7,10,24,27-tetramethoxy-5,17,29-triazaheptacyclo[16.12.0.03,16.04,13.06,11.021,30.023,28]triaconta-1(18),2,4,6,8,10,12,16,21,23,25,27,29-tridecaene
SMILESCOc1ccc(OC)c2nc3c(cc12)CCc1nc2c(cc1-3)-c1nc3c(OC)ccc(OC)c3cc1CC2
InChIInChI=1S/C31H27N3O4/c1-35-24-9-11-26(37-3)30-20(24)13-16-5-7-22-18(28(16)33-30)15-19-23(32-22)8-6-17-14-21-25(36-2)10-12-27(38-4)31(21)34-29(17)19/h9-15H,5-8H2,1-4H3
InChIKeyMJDNKQZGYOKIRK-UHFFFAOYSA-N
MW505.57 g/mol
LogP5.74
Rot. Bonds4

About 7,10,24,27-tetramethoxy-5,17,29-triazaheptacyclo[16.12.0.03,16.04,13.06,11.021,30.023,28]triaconta-1(18),2,4,6,8,10,12,16,21,23,25,27,29-tridecaene

7,10,24,27-tetramethoxy-5,17,29-triazaheptacyclo[16.12.0.03,16.04,13.06,11.021,30.023,28]triaconta-1(18),2,4,6,8,10,12,16,21,23,25,27,29-tridecaene (PubChem CID 10029175) has the molecular formula C31H27N3O4 and a molecular weight of 505.57 g/mol. Its IUPAC name is 7,10,24,27-tetramethoxy-5,17,29-triazaheptacyclo[16.12.0.03,16.04,13.06,11.021,30.023,28]triaconta-1(18),2,4,6,8,10,12,16,21,23,25,27,29-tridecaene.

Molecular Properties

Compound Name7,10,24,27-tetramethoxy-5,17,29-triazaheptacyclo[16.12.0.03,16.04,13.06,11.021,30.023,28]triaconta-1(18),2,4,6,8,10,12,16,21,23,25,27,29-tridecaene
PubChem CID10029175
Molecular FormulaC31H27N3O4
Molecular Weight505.57 g/mol
Exact Mass505.20
IUPAC Name7,10,24,27-tetramethoxy-5,17,29-triazaheptacyclo[16.12.0.03,16.04,13.06,11.021,30.023,28]triaconta-1(18),2,4,6,8,10,12,16,21,23,25,27,29-tridecaene
SMILESCOc1ccc(OC)c2nc3c(cc12)CCc1nc2c(cc1-3)-c1nc3c(OC)ccc(OC)c3cc1CC2
InChIInChI=1S/C31H27N3O4/c1-35-24-9-11-26(37-3)30-20(24)13-16-5-7-22-18(28(16)33-30)15-19-23(32-22)8-6-17-14-21-25(36-2)10-12-27(38-4)31(21)34-29(17)19/h9-15H,5-8H2,1-4H3
InChIKeyMJDNKQZGYOKIRK-UHFFFAOYSA-N
XLogP5.74
TPSA75.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.57
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7,10,24,27-tetramethoxy-5,17,29-triazaheptacyclo[16.12.0.03,16.04,13.06,11.021,30.023,28]triaconta-1(18),2,4,6,8,10,12,16,21,23,25,27,29-tridecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,10,24,27-tetramethoxy-5,17,29-triazaheptacyclo[16.12.0.03,16.04,13.06,11.021,30.023,28]triaconta-1(18),2,4,6,8,10,12,16,21,23,25,27,29-tridecaene?
The IUPAC name of 7,10,24,27-tetramethoxy-5,17,29-triazaheptacyclo[16.12.0.03,16.04,13.06,11.021,30.023,28]triaconta-1(18),2,4,6,8,10,12,16,21,23,25,27,29-tridecaene (CID 10029175) is 7,10,24,27-tetramethoxy-5,17,29-triazaheptacyclo[16.12.0.03,16.04,13.06,11.021,30.023,28]triaconta-1(18),2,4,6,8,10,12,16,21,23,25,27,29-tridecaene.
What is the SMILES notation for 7,10,24,27-tetramethoxy-5,17,29-triazaheptacyclo[16.12.0.03,16.04,13.06,11.021,30.023,28]triaconta-1(18),2,4,6,8,10,12,16,21,23,25,27,29-tridecaene?
The canonical SMILES for 7,10,24,27-tetramethoxy-5,17,29-triazaheptacyclo[16.12.0.03,16.04,13.06,11.021,30.023,28]triaconta-1(18),2,4,6,8,10,12,16,21,23,25,27,29-tridecaene is COc1ccc(OC)c2nc3c(cc12)CCc1nc2c(cc1-3)-c1nc3c(OC)ccc(OC)c3cc1CC2.
What is the InChIKey of 7,10,24,27-tetramethoxy-5,17,29-triazaheptacyclo[16.12.0.03,16.04,13.06,11.021,30.023,28]triaconta-1(18),2,4,6,8,10,12,16,21,23,25,27,29-tridecaene?
The InChIKey is MJDNKQZGYOKIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N3O4/c1-35-24-9-11-26(37-3)30-20(24)13-16-5-7-22-18(28(16)33-30)15-19-23(32-22)8-6-17-14-21-25(36-2)10-12-27(38-4)31(21)34-29(17)19/h9-15H,5-8H2,1-4H3.
What are the key properties of 7,10,24,27-tetramethoxy-5,17,29-triazaheptacyclo[16.12.0.03,16.04,13.06,11.021,30.023,28]triaconta-1(18),2,4,6,8,10,12,16,21,23,25,27,29-tridecaene?
7,10,24,27-tetramethoxy-5,17,29-triazaheptacyclo[16.12.0.03,16.04,13.06,11.021,30.023,28]triaconta-1(18),2,4,6,8,10,12,16,21,23,25,27,29-tridecaene has a molecular weight of 505.57 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10,24,27-tetramethoxy-5,17,29-triazaheptacyclo[16.12.0.03,16.04,13.06,11.021,30.023,28]triaconta-1(18),2,4,6,8,10,12,16,21,23,25,27,29-tridecaene is sourced from PubChem (CID 10029175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).