16-(9,9-dimethylacridin-10-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane

C33H42N2O — CID 77473935

IUPAC16-(9,9-dimethylacridin-10-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane
SMILESCC1(C)c2ccccc2N(C2CCC3C(C2)OC2CCCC4C5CCCCC5N3C24)c2ccccc21
InChIInChI=1S/C33H42N2O/c1-33(2)24-12-4-7-15-27(24)34(28-16-8-5-13-25(28)33)21-18-19-29-31(20-21)36-30-17-9-11-23-22-10-3-6-14-26(22)35(29)32(23)30/h4-5,7-8,12-13,15-16,21-23,26,29-32H,3,6,9-11,14,17-20H2,1-2H3
InChIKeyFWBWOCNYQJDMNA-UHFFFAOYSA-N
MW482.71 g/mol
LogP7.20
Rot. Bonds1

About 16-(9,9-dimethylacridin-10-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane

16-(9,9-dimethylacridin-10-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane (PubChem CID 77473935) has the molecular formula C33H42N2O and a molecular weight of 482.71 g/mol. Its IUPAC name is 16-(9,9-dimethylacridin-10-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane.

Molecular Properties

Compound Name16-(9,9-dimethylacridin-10-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane
PubChem CID77473935
Molecular FormulaC33H42N2O
Molecular Weight482.71 g/mol
Exact Mass482.33
IUPAC Name16-(9,9-dimethylacridin-10-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane
SMILESCC1(C)c2ccccc2N(C2CCC3C(C2)OC2CCCC4C5CCCCC5N3C24)c2ccccc21
InChIInChI=1S/C33H42N2O/c1-33(2)24-12-4-7-15-27(24)34(28-16-8-5-13-25(28)33)21-18-19-29-31(20-21)36-30-17-9-11-23-22-10-3-6-14-26(22)35(29)32(23)30/h4-5,7-8,12-13,15-16,21-23,26,29-32H,3,6,9-11,14,17-20H2,1-2H3
InChIKeyFWBWOCNYQJDMNA-UHFFFAOYSA-N
XLogP7.20
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.71
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 16-(9,9-dimethylacridin-10-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane with MolForge

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Related Compounds

5-phenothiazin-10-yl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane
CID 123181283
5-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosan-5-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane
CID 77440573
13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosan-5-ol
CID 77440560
4-[2-(9,9-dimethylacridin-10-yl)-4-(11,21-dioxa-1,4,16,28-tetrazadecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriacontan-16-yl)phenyl]sulfonylbenzonitrile
CID 175631901
5,5-dimethyl-12-phenyl-16-thia-1,12-diazaheptacyclo[15.10.1.02,15.04,13.06,11.021,28.022,27]octacosa-6,8,10-triene
CID 77431346
8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosane
CID 147264141
16-phenyl-11,21-dioxa-4,16,28-triaza-1-phosphadecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriacontane
CID 154006593
5,27,32,54-tetraphenyl-10,37-dioxa-5,17,27,32,44,54-hexaza-20,47-diphosphahexadecacyclo[29.23.1.14,20.02,29.06,19.09,18.011,16.017,22.021,26.033,46.036,45.038,43.044,49.047,55.048,53.028,56]hexapentacontane
CID 154006611
3-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosan-10-yl)phenyl]-5-phenylbenzonitrile
CID 123697482
[(2E)-2-(1-cyclopentyl-3,3-dimethylindol-2-ylidene)ethylidene]-dimethylazanium
CID 59004899
3,3-dimethyl-1-(3-oxocyclohexyl)indol-2-one
CID 141035211
2-[(10-cyclohexyl-9,9-dimethylacridin-2-yl)methylidene]cyclopenta[b]anthracene-1,3-dione
CID 154970569

Frequently Asked Questions

What is the IUPAC name of 16-(9,9-dimethylacridin-10-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane?
The IUPAC name of 16-(9,9-dimethylacridin-10-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane (CID 77473935) is 16-(9,9-dimethylacridin-10-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane.
What is the SMILES notation for 16-(9,9-dimethylacridin-10-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane?
The canonical SMILES for 16-(9,9-dimethylacridin-10-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane is CC1(C)c2ccccc2N(C2CCC3C(C2)OC2CCCC4C5CCCCC5N3C24)c2ccccc21.
What is the InChIKey of 16-(9,9-dimethylacridin-10-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane?
The InChIKey is FWBWOCNYQJDMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N2O/c1-33(2)24-12-4-7-15-27(24)34(28-16-8-5-13-25(28)33)21-18-19-29-31(20-21)36-30-17-9-11-23-22-10-3-6-14-26(22)35(29)32(23)30/h4-5,7-8,12-13,15-16,21-23,26,29-32H,3,6,9-11,14,17-20H2,1-2H3.
What are the key properties of 16-(9,9-dimethylacridin-10-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane?
16-(9,9-dimethylacridin-10-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane has a molecular weight of 482.71 g/mol, XLogP of 7.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(9,9-dimethylacridin-10-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane is sourced from PubChem (CID 77473935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).