2-(2,2-dimethylpropyl)-12-naphthalen-2-yl-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene

C29H24N2O — CID 168816437

IUPAC2-(2,2-dimethylpropyl)-12-naphthalen-2-yl-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
SMILESCC(C)(C)Cc1c2ccccc2cc2c1oc1ncnc(-c3ccc4ccccc4c3)c12
InChIInChI=1S/C29H24N2O/c1-29(2,3)16-24-22-11-7-6-10-20(22)15-23-25-26(30-17-31-28(25)32-27(23)24)21-13-12-18-8-4-5-9-19(18)14-21/h4-15,17H,16H2,1-3H3
InChIKeyFZNYJUZHYSJYAR-UHFFFAOYSA-N
MW416.52 g/mol
LogP7.94
Rot. Bonds2

About 2-(2,2-dimethylpropyl)-12-naphthalen-2-yl-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene

2-(2,2-dimethylpropyl)-12-naphthalen-2-yl-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene (PubChem CID 168816437) has the molecular formula C29H24N2O and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-12-naphthalen-2-yl-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-12-naphthalen-2-yl-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
PubChem CID168816437
Molecular FormulaC29H24N2O
Molecular Weight416.52 g/mol
Exact Mass416.19
IUPAC Name2-(2,2-dimethylpropyl)-12-naphthalen-2-yl-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
SMILESCC(C)(C)Cc1c2ccccc2cc2c1oc1ncnc(-c3ccc4ccccc4c3)c12
InChIInChI=1S/C29H24N2O/c1-29(2,3)16-24-22-11-7-6-10-20(22)15-23-25-26(30-17-31-28(25)32-27(23)24)21-13-12-18-8-4-5-9-19(18)14-21/h4-15,17H,16H2,1-3H3
InChIKeyFZNYJUZHYSJYAR-UHFFFAOYSA-N
XLogP7.94
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,2-dimethylpropyl)-12-naphthalen-2-yl-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene with MolForge

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Related Compounds

12-[5-(2,2-dimethylpropyl)naphthalen-1-yl]-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 168816319
12-(4,5,7-trimethylnaphthalen-2-yl)-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 168816751
12-(4-tert-butylnaphthalen-2-yl)-3-(2-methylpropyl)-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 168816142
12-(3,5-dimethylphenyl)-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 168816732
8-(2,2-dimethylpropyl)-17,17-dimethyl-12-naphthalen-2-yl-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 168816710
4-naphthalen-2-ylquinazoline
CID 58881337
1-naphthalen-2-ylbenzo[e][1]benzofuran
CID 151742826
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;9-(2,2-dimethylpropyl)-16-(3H-naphthalen-3-id-2-yl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;iridium
CID 168816929
16-(4-propan-2-ylnaphthalen-1-yl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 168816413
4-naphthalen-2-yl-2-propan-2-ylquinazoline
CID 130266064
1-(4-tert-butylnaphthalen-2-yl)-7-(2,2-dimethylpropyl)-2,8-phenanthroline
CID 156667178
2-naphthalen-2-ylphenanthrene
CID 90738367

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-12-naphthalen-2-yl-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
The IUPAC name of 2-(2,2-dimethylpropyl)-12-naphthalen-2-yl-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene (CID 168816437) is 2-(2,2-dimethylpropyl)-12-naphthalen-2-yl-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-12-naphthalen-2-yl-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
The canonical SMILES for 2-(2,2-dimethylpropyl)-12-naphthalen-2-yl-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene is CC(C)(C)Cc1c2ccccc2cc2c1oc1ncnc(-c3ccc4ccccc4c3)c12.
What is the InChIKey of 2-(2,2-dimethylpropyl)-12-naphthalen-2-yl-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
The InChIKey is FZNYJUZHYSJYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O/c1-29(2,3)16-24-22-11-7-6-10-20(22)15-23-25-26(30-17-31-28(25)32-27(23)24)21-13-12-18-8-4-5-9-19(18)14-21/h4-15,17H,16H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-12-naphthalen-2-yl-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
2-(2,2-dimethylpropyl)-12-naphthalen-2-yl-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene has a molecular weight of 416.52 g/mol, XLogP of 7.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-12-naphthalen-2-yl-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 168816437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).