2,4,6,7,10-pentamethyl-15-oxa-2-aza-10-azoniahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16,18,20,22-undecaene

C26H23N2O+ — CID 170655309

IUPAC2,4,6,7,10-pentamethyl-15-oxa-2-aza-10-azoniahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16,18,20,22-undecaene
SMILESCc1cc(C)c2c(c1C)-c1c3c(cc4c5ccccc5oc4c3cc[n+]1C)N2C
InChIInChI=1S/C26H23N2O/c1-14-12-15(2)24-22(16(14)3)25-23-18(10-11-27(25)4)26-19(13-20(23)28(24)5)17-8-6-7-9-21(17)29-26/h6-13H,1-5H3/q+1
InChIKeyTXCLEXUXOQMBHG-UHFFFAOYSA-N
MW379.48 g/mol
LogP6.24
Rot. Bonds

About 2,4,6,7,10-pentamethyl-15-oxa-2-aza-10-azoniahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16,18,20,22-undecaene

2,4,6,7,10-pentamethyl-15-oxa-2-aza-10-azoniahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16,18,20,22-undecaene (PubChem CID 170655309) has the molecular formula C26H23N2O+ and a molecular weight of 379.48 g/mol. Its IUPAC name is 2,4,6,7,10-pentamethyl-15-oxa-2-aza-10-azoniahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16,18,20,22-undecaene.

Molecular Properties

Compound Name2,4,6,7,10-pentamethyl-15-oxa-2-aza-10-azoniahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16,18,20,22-undecaene
PubChem CID170655309
Molecular FormulaC26H23N2O+
Molecular Weight379.48 g/mol
Exact Mass379.18
IUPAC Name2,4,6,7,10-pentamethyl-15-oxa-2-aza-10-azoniahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16,18,20,22-undecaene
SMILESCc1cc(C)c2c(c1C)-c1c3c(cc4c5ccccc5oc4c3cc[n+]1C)N2C
InChIInChI=1S/C26H23N2O/c1-14-12-15(2)24-22(16(14)3)25-23-18(10-11-27(25)4)26-19(13-20(23)28(24)5)17-8-6-7-9-21(17)29-26/h6-13H,1-5H3/q+1
InChIKeyTXCLEXUXOQMBHG-UHFFFAOYSA-N
XLogP6.24
TPSA20.26 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.48
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2,4,6,7,10-pentamethyl-15-oxa-2-aza-10-azoniahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16,18,20,22-undecaene with MolForge

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Related Compounds

15,18,27-trimethyl-10-oxa-27-aza-15-azoniaheptacyclo[14.11.1.03,11.04,9.012,28.017,26.019,24]octacosa-1(28),2,4,6,8,11,13,15,17,19,21,23,25-tridecaene
CID 170655156
3,31-dimethyl-26-oxa-16-thia-31-azoniaoctacyclo[15.14.1.02,15.04,13.05,10.019,27.020,25.028,32]dotriaconta-1(31),2(15),3,5,7,9,11,13,17(32),18,20,22,24,27,29-pentadecaene
CID 170655421
3,14,31-trimethyl-16,19-dioxa-31-azoniaoctacyclo[15.14.1.02,15.04,13.06,11.018,26.020,25.028,32]dotriaconta-1(31),2,4,6,8,10,12,14,17(32),18(26),20,22,24,27,29-pentadecaene
CID 170655138
[1-(2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane
CID 155637974
[1-(2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane
CID 155638317
24-(2,2-dimethylpropyl)-15,18-dimethyl-10,20,26-trioxa-15-azoniaheptacyclo[14.10.1.03,11.04,9.012,27.017,25.019,23]heptacosa-1(27),2,4,6,8,11,13,15,17,19(23),21,24-dodecaene
CID 170655204
1,4-dimethyl-2-(3-methyl-[1]benzofuro[2,3-b][1]benzofuran-4-yl)pyridin-1-ium
CID 158153176
9-[2-(2,3-dimethyldibenzofuran-4-yl)-1,6-dimethylquinolin-1-ium-4-yl]carbazole
CID 171458896
3,16,20-trimethyl-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
CID 164722510
3,10,14,15,20-pentamethyl-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene
CID 164722173
11-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
CID 123841957
3,4-dimethyl-1-(trideuteriomethyl)dibenzofuran
CID 167687599

Frequently Asked Questions

What is the IUPAC name of 2,4,6,7,10-pentamethyl-15-oxa-2-aza-10-azoniahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16,18,20,22-undecaene?
The IUPAC name of 2,4,6,7,10-pentamethyl-15-oxa-2-aza-10-azoniahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16,18,20,22-undecaene (CID 170655309) is 2,4,6,7,10-pentamethyl-15-oxa-2-aza-10-azoniahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16,18,20,22-undecaene.
What is the SMILES notation for 2,4,6,7,10-pentamethyl-15-oxa-2-aza-10-azoniahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16,18,20,22-undecaene?
The canonical SMILES for 2,4,6,7,10-pentamethyl-15-oxa-2-aza-10-azoniahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16,18,20,22-undecaene is Cc1cc(C)c2c(c1C)-c1c3c(cc4c5ccccc5oc4c3cc[n+]1C)N2C.
What is the InChIKey of 2,4,6,7,10-pentamethyl-15-oxa-2-aza-10-azoniahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16,18,20,22-undecaene?
The InChIKey is TXCLEXUXOQMBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N2O/c1-14-12-15(2)24-22(16(14)3)25-23-18(10-11-27(25)4)26-19(13-20(23)28(24)5)17-8-6-7-9-21(17)29-26/h6-13H,1-5H3/q+1.
What are the key properties of 2,4,6,7,10-pentamethyl-15-oxa-2-aza-10-azoniahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16,18,20,22-undecaene?
2,4,6,7,10-pentamethyl-15-oxa-2-aza-10-azoniahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16,18,20,22-undecaene has a molecular weight of 379.48 g/mol, XLogP of 6.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,7,10-pentamethyl-15-oxa-2-aza-10-azoniahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16,18,20,22-undecaene is sourced from PubChem (CID 170655309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).