5,9,9-trimethyl-10-oxa-19,26-diazahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),12,14,16,18,20,22,24-nonaene

C26H26N2O — CID 71589162

IUPAC5,9,9-trimethyl-10-oxa-19,26-diazahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),12,14,16,18,20,22,24-nonaene
SMILESCC1CCC2C(C1)c1c(c3ccccc3c3nc4ccccc4nc13)OC2(C)C
InChIInChI=1S/C26H26N2O/c1-15-12-13-19-18(14-15)22-24-23(27-20-10-6-7-11-21(20)28-24)16-8-4-5-9-17(16)25(22)29-26(19,2)3/h4-11,15,18-19H,12-14H2,1-3H3
InChIKeyGSWDVLDKIAIKDM-UHFFFAOYSA-N
MW382.51 g/mol
LogP6.63
Rot. Bonds

About 5,9,9-trimethyl-10-oxa-19,26-diazahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),12,14,16,18,20,22,24-nonaene

5,9,9-trimethyl-10-oxa-19,26-diazahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),12,14,16,18,20,22,24-nonaene (PubChem CID 71589162) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is 5,9,9-trimethyl-10-oxa-19,26-diazahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),12,14,16,18,20,22,24-nonaene.

Molecular Properties

Compound Name5,9,9-trimethyl-10-oxa-19,26-diazahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),12,14,16,18,20,22,24-nonaene
PubChem CID71589162
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name5,9,9-trimethyl-10-oxa-19,26-diazahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),12,14,16,18,20,22,24-nonaene
SMILESCC1CCC2C(C1)c1c(c3ccccc3c3nc4ccccc4nc13)OC2(C)C
InChIInChI=1S/C26H26N2O/c1-15-12-13-19-18(14-15)22-24-23(27-20-10-6-7-11-21(20)28-24)16-8-4-5-9-17(16)25(22)29-26(19,2)3/h4-11,15,18-19H,12-14H2,1-3H3
InChIKeyGSWDVLDKIAIKDM-UHFFFAOYSA-N
XLogP6.63
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6666_A(2)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5,9,9-trimethyl-10-oxa-19,26-diazahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),12,14,16,18,20,22,24-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,9,9-trimethyl-10-oxa-19,26-diazahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),12,14,16,18,20,22,24-nonaene?
The IUPAC name of 5,9,9-trimethyl-10-oxa-19,26-diazahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),12,14,16,18,20,22,24-nonaene (CID 71589162) is 5,9,9-trimethyl-10-oxa-19,26-diazahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),12,14,16,18,20,22,24-nonaene.
What is the SMILES notation for 5,9,9-trimethyl-10-oxa-19,26-diazahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),12,14,16,18,20,22,24-nonaene?
The canonical SMILES for 5,9,9-trimethyl-10-oxa-19,26-diazahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),12,14,16,18,20,22,24-nonaene is CC1CCC2C(C1)c1c(c3ccccc3c3nc4ccccc4nc13)OC2(C)C.
What is the InChIKey of 5,9,9-trimethyl-10-oxa-19,26-diazahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),12,14,16,18,20,22,24-nonaene?
The InChIKey is GSWDVLDKIAIKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O/c1-15-12-13-19-18(14-15)22-24-23(27-20-10-6-7-11-21(20)28-24)16-8-4-5-9-17(16)25(22)29-26(19,2)3/h4-11,15,18-19H,12-14H2,1-3H3.
What are the key properties of 5,9,9-trimethyl-10-oxa-19,26-diazahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),12,14,16,18,20,22,24-nonaene?
5,9,9-trimethyl-10-oxa-19,26-diazahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),12,14,16,18,20,22,24-nonaene has a molecular weight of 382.51 g/mol, XLogP of 6.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9,9-trimethyl-10-oxa-19,26-diazahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),12,14,16,18,20,22,24-nonaene is sourced from PubChem (CID 71589162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).