(9E,24E)-10,25-dimethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(30),9,11,13,15,24,26,28-octaene

C26H36N4O2 — CID 177394025

IUPAC(9E,24E)-10,25-dimethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(30),9,11,13,15,24,26,28-octaene
SMILESC/C1=N\OCCCCCNc2ccccc2/C(C)=N/OCCCCCNc2ccccc21
InChIInChI=1S/C26H36N4O2/c1-21-23-13-5-7-15-25(23)27-17-9-4-12-20-32-30-22(2)24-14-6-8-16-26(24)28-18-10-3-11-19-31-29-21/h5-8,13-16,27-28H,3-4,9-12,17-20H2,1-2H3/b29-21+,30-22+
InChIKeyFBXNZFRXIXPPFH-VFIVCBTMSA-N
MW436.60 g/mol
LogP6.05
Rot. Bonds

About (9E,24E)-10,25-dimethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(30),9,11,13,15,24,26,28-octaene

(9E,24E)-10,25-dimethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(30),9,11,13,15,24,26,28-octaene (PubChem CID 177394025) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is (9E,24E)-10,25-dimethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(30),9,11,13,15,24,26,28-octaene.

Molecular Properties

Compound Name(9E,24E)-10,25-dimethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(30),9,11,13,15,24,26,28-octaene
PubChem CID177394025
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC Name(9E,24E)-10,25-dimethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(30),9,11,13,15,24,26,28-octaene
SMILESC/C1=N\OCCCCCNc2ccccc2/C(C)=N/OCCCCCNc2ccccc21
InChIInChI=1S/C26H36N4O2/c1-21-23-13-5-7-15-25(23)27-17-9-4-12-20-32-30-22(2)24-14-6-8-16-26(24)28-18-10-3-11-19-31-29-21/h5-8,13-16,27-28H,3-4,9-12,17-20H2,1-2H3/b29-21+,30-22+
InChIKeyFBXNZFRXIXPPFH-VFIVCBTMSA-N
XLogP6.05
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (9E,24E)-10,25-dimethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(30),9,11,13,15,24,26,28-octaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (9E,24E)-10,25-dimethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(30),9,11,13,15,24,26,28-octaene?
The IUPAC name of (9E,24E)-10,25-dimethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(30),9,11,13,15,24,26,28-octaene (CID 177394025) is (9E,24E)-10,25-dimethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(30),9,11,13,15,24,26,28-octaene.
What is the SMILES notation for (9E,24E)-10,25-dimethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(30),9,11,13,15,24,26,28-octaene?
The canonical SMILES for (9E,24E)-10,25-dimethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(30),9,11,13,15,24,26,28-octaene is C/C1=N\OCCCCCNc2ccccc2/C(C)=N/OCCCCCNc2ccccc21.
What is the InChIKey of (9E,24E)-10,25-dimethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(30),9,11,13,15,24,26,28-octaene?
The InChIKey is FBXNZFRXIXPPFH-VFIVCBTMSA-N. The full InChI is InChI=1S/C26H36N4O2/c1-21-23-13-5-7-15-25(23)27-17-9-4-12-20-32-30-22(2)24-14-6-8-16-26(24)28-18-10-3-11-19-31-29-21/h5-8,13-16,27-28H,3-4,9-12,17-20H2,1-2H3/b29-21+,30-22+.
What are the key properties of (9E,24E)-10,25-dimethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(30),9,11,13,15,24,26,28-octaene?
(9E,24E)-10,25-dimethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(30),9,11,13,15,24,26,28-octaene has a molecular weight of 436.60 g/mol, XLogP of 6.05, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9E,24E)-10,25-dimethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(30),9,11,13,15,24,26,28-octaene is sourced from PubChem (CID 177394025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).