8-(4-tert-butylnaphthalen-2-yl)-4,11-dimethyl-3,12-dioxa-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene

C25H23NO2 — CID 172520345

IUPAC8-(4-tert-butylnaphthalen-2-yl)-4,11-dimethyl-3,12-dioxa-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene
SMILESCc1cc2nc(-c3cc(C(C)(C)C)c4ccccc4c3)c3cc(C)oc3c2o1
InChIInChI=1S/C25H23NO2/c1-14-10-19-22(26-21-11-15(2)28-24(21)23(19)27-14)17-12-16-8-6-7-9-18(16)20(13-17)25(3,4)5/h6-13H,1-5H3
InChIKeyFRFKLOQILLWSMM-UHFFFAOYSA-N
MW369.46 g/mol
LogP7.31
Rot. Bonds1

About 8-(4-tert-butylnaphthalen-2-yl)-4,11-dimethyl-3,12-dioxa-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene

8-(4-tert-butylnaphthalen-2-yl)-4,11-dimethyl-3,12-dioxa-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene (PubChem CID 172520345) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 8-(4-tert-butylnaphthalen-2-yl)-4,11-dimethyl-3,12-dioxa-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene.

Molecular Properties

Compound Name8-(4-tert-butylnaphthalen-2-yl)-4,11-dimethyl-3,12-dioxa-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene
PubChem CID172520345
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name8-(4-tert-butylnaphthalen-2-yl)-4,11-dimethyl-3,12-dioxa-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene
SMILESCc1cc2nc(-c3cc(C(C)(C)C)c4ccccc4c3)c3cc(C)oc3c2o1
InChIInChI=1S/C25H23NO2/c1-14-10-19-22(26-21-11-15(2)28-24(21)23(19)27-14)17-12-16-8-6-7-9-18(16)20(13-17)25(3,4)5/h6-13H,1-5H3
InChIKeyFRFKLOQILLWSMM-UHFFFAOYSA-N
XLogP7.31
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(4-tert-butylnaphthalen-2-yl)-4,11-dimethyl-3,12-dioxa-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene with MolForge

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

Launch Full Analysis

Related Compounds

4-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylfuro[3,2-c]quinoline
CID 166570041
6-(4-tert-butylnaphthalen-2-yl)-1,3-dimethyl-10-propan-2-yl-[1]benzofuro[3,2-c]quinoline
CID 167354769
[8-(4-tert-butylnaphthalen-2-yl)-4,5-dimethyl-12-oxa-3-thia-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaen-11-yl]-trimethylsilane
CID 172520343
7-(4-tert-butylnaphthalen-2-yl)-2-iodo-3-methylfuro[2,3-c]pyridine
CID 170660648
7-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzofuran-5-yl)furo[2,3-c]pyridine
CID 171718016
7-(4-tert-butylnaphthalen-2-yl)-2-iodofuro[2,3-c]pyridine
CID 170660676
12-(4-tert-butylnaphthalen-2-yl)-14-methyl-5-propan-2-yl-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene
CID 168815916
4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzofuran-5-yl)furo[3,2-c]pyridine
CID 171718181
8-(4-tert-butylnaphthalen-2-yl)-6,16,16,19,19-pentamethyl-3-oxa-5,7-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15(20)-octaene
CID 168815870
1-(4-tert-butylnaphthalen-2-yl)-4-methyl-5-(trifluoromethyl)benzo[g]phthalazine
CID 155760281
6-(4-tert-butylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]quinoline
CID 167354335
2-(4-tert-butylnaphthalen-2-yl)-4,5-dimethylquinoline
CID 134387972

Frequently Asked Questions

What is the IUPAC name of 8-(4-tert-butylnaphthalen-2-yl)-4,11-dimethyl-3,12-dioxa-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene?
The IUPAC name of 8-(4-tert-butylnaphthalen-2-yl)-4,11-dimethyl-3,12-dioxa-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene (CID 172520345) is 8-(4-tert-butylnaphthalen-2-yl)-4,11-dimethyl-3,12-dioxa-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene.
What is the SMILES notation for 8-(4-tert-butylnaphthalen-2-yl)-4,11-dimethyl-3,12-dioxa-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene?
The canonical SMILES for 8-(4-tert-butylnaphthalen-2-yl)-4,11-dimethyl-3,12-dioxa-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene is Cc1cc2nc(-c3cc(C(C)(C)C)c4ccccc4c3)c3cc(C)oc3c2o1.
What is the InChIKey of 8-(4-tert-butylnaphthalen-2-yl)-4,11-dimethyl-3,12-dioxa-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene?
The InChIKey is FRFKLOQILLWSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c1-14-10-19-22(26-21-11-15(2)28-24(21)23(19)27-14)17-12-16-8-6-7-9-18(16)20(13-17)25(3,4)5/h6-13H,1-5H3.
What are the key properties of 8-(4-tert-butylnaphthalen-2-yl)-4,11-dimethyl-3,12-dioxa-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene?
8-(4-tert-butylnaphthalen-2-yl)-4,11-dimethyl-3,12-dioxa-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene has a molecular weight of 369.46 g/mol, XLogP of 7.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-tert-butylnaphthalen-2-yl)-4,11-dimethyl-3,12-dioxa-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene is sourced from PubChem (CID 172520345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).