11,25-dimethoxy-29,30-dioxa-3,10,17,24-tetrazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),2,4,6,8,12,14,16,18,20,22,26-dodecaene

C26H24N4O4 — CID 100933782

IUPAC11,25-dimethoxy-29,30-dioxa-3,10,17,24-tetrazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),2,4,6,8,12,14,16,18,20,22,26-dodecaene
SMILESCOC1Nc2ccccc2/N=C/c2ccc(o2)C(OC)Nc2ccccc2/N=C/c2ccc1o2
InChIInChI=1S/C26H24N4O4/c1-31-25-23-13-11-17(33-23)15-28-20-8-4-6-10-22(20)30-26(32-2)24-14-12-18(34-24)16-27-19-7-3-5-9-21(19)29-25/h3-16,25-26,29-30H,1-2H3/b27-16+,28-15+
InChIKeyMYYSYEJICQHDIZ-YGJALXMPSA-N
MW456.50 g/mol
LogP6.20
Rot. Bonds2

About 11,25-dimethoxy-29,30-dioxa-3,10,17,24-tetrazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),2,4,6,8,12,14,16,18,20,22,26-dodecaene

11,25-dimethoxy-29,30-dioxa-3,10,17,24-tetrazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),2,4,6,8,12,14,16,18,20,22,26-dodecaene (PubChem CID 100933782) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is 11,25-dimethoxy-29,30-dioxa-3,10,17,24-tetrazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),2,4,6,8,12,14,16,18,20,22,26-dodecaene.

Molecular Properties

Compound Name11,25-dimethoxy-29,30-dioxa-3,10,17,24-tetrazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),2,4,6,8,12,14,16,18,20,22,26-dodecaene
PubChem CID100933782
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC Name11,25-dimethoxy-29,30-dioxa-3,10,17,24-tetrazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),2,4,6,8,12,14,16,18,20,22,26-dodecaene
SMILESCOC1Nc2ccccc2/N=C/c2ccc(o2)C(OC)Nc2ccccc2/N=C/c2ccc1o2
InChIInChI=1S/C26H24N4O4/c1-31-25-23-13-11-17(33-23)15-28-20-8-4-6-10-22(20)30-26(32-2)24-14-12-18(34-24)16-27-19-7-3-5-9-21(19)29-25/h3-16,25-26,29-30H,1-2H3/b27-16+,28-15+
InChIKeyMYYSYEJICQHDIZ-YGJALXMPSA-N
XLogP6.20
TPSA93.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.50
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 11,25-dimethoxy-29,30-dioxa-3,10,17,24-tetrazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),2,4,6,8,12,14,16,18,20,22,26-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11,25-dimethoxy-29,30-dioxa-3,10,17,24-tetrazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),2,4,6,8,12,14,16,18,20,22,26-dodecaene?
The IUPAC name of 11,25-dimethoxy-29,30-dioxa-3,10,17,24-tetrazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),2,4,6,8,12,14,16,18,20,22,26-dodecaene (CID 100933782) is 11,25-dimethoxy-29,30-dioxa-3,10,17,24-tetrazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),2,4,6,8,12,14,16,18,20,22,26-dodecaene.
What is the SMILES notation for 11,25-dimethoxy-29,30-dioxa-3,10,17,24-tetrazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),2,4,6,8,12,14,16,18,20,22,26-dodecaene?
The canonical SMILES for 11,25-dimethoxy-29,30-dioxa-3,10,17,24-tetrazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),2,4,6,8,12,14,16,18,20,22,26-dodecaene is COC1Nc2ccccc2/N=C/c2ccc(o2)C(OC)Nc2ccccc2/N=C/c2ccc1o2.
What is the InChIKey of 11,25-dimethoxy-29,30-dioxa-3,10,17,24-tetrazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),2,4,6,8,12,14,16,18,20,22,26-dodecaene?
The InChIKey is MYYSYEJICQHDIZ-YGJALXMPSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-31-25-23-13-11-17(33-23)15-28-20-8-4-6-10-22(20)30-26(32-2)24-14-12-18(34-24)16-27-19-7-3-5-9-21(19)29-25/h3-16,25-26,29-30H,1-2H3/b27-16+,28-15+.
What are the key properties of 11,25-dimethoxy-29,30-dioxa-3,10,17,24-tetrazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),2,4,6,8,12,14,16,18,20,22,26-dodecaene?
11,25-dimethoxy-29,30-dioxa-3,10,17,24-tetrazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),2,4,6,8,12,14,16,18,20,22,26-dodecaene has a molecular weight of 456.50 g/mol, XLogP of 6.20, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 11,25-dimethoxy-29,30-dioxa-3,10,17,24-tetrazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),2,4,6,8,12,14,16,18,20,22,26-dodecaene is sourced from PubChem (CID 100933782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).