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

C27H20N2O — CID 168816751

IUPAC12-(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
SMILESCc1cc(C)c2c(C)cc(-c3ncnc4oc5c6ccccc6ccc5c34)cc2c1
InChIInChI=1S/C27H20N2O/c1-15-10-16(2)23-17(3)12-20(13-19(23)11-15)25-24-22-9-8-18-6-4-5-7-21(18)26(22)30-27(24)29-14-28-25/h4-14H,1-3H3
InChIKeySLNYUPHAIKPAGJ-UHFFFAOYSA-N
MW388.47 g/mol
LogP7.27
Rot. Bonds1

About 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

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 (PubChem CID 168816751) has the molecular formula C27H20N2O and a molecular weight of 388.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name12-(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
PubChem CID168816751
Molecular FormulaC27H20N2O
Molecular Weight388.47 g/mol
Exact Mass388.16
IUPAC Name12-(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
SMILESCc1cc(C)c2c(C)cc(-c3ncnc4oc5c6ccccc6ccc5c34)cc2c1
InChIInChI=1S/C27H20N2O/c1-15-10-16(2)23-17(3)12-20(13-19(23)11-15)25-24-22-9-8-18-6-4-5-7-21(18)26(22)30-27(24)29-14-28-25/h4-14H,1-3H3
InChIKeySLNYUPHAIKPAGJ-UHFFFAOYSA-N
XLogP7.27
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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
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-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
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
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
12-(4-tert-butylnaphthalen-2-yl)-5-(1,1-dideuterio-2,2-dimethylpropyl)-14-(trideuteriomethyl)-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 168816477
6-(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 139469551
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;12-[4-(2-methylpropyl)-1H-naphthalen-1-id-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 168816897
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;16-(4,5,7-trimethyl-1H-naphthalen-1-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
CID 168816251
12-(4-tert-butyl-1H-naphthalen-1-id-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;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 168816261
10-methylnaphtho[1,2-b][1]benzofuran
CID 58510874
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C)c2c(C)cc(-c3ncnc4oc5c6ccccc6ccc5c34)cc2c1.
What is the InChIKey of 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?
The InChIKey is SLNYUPHAIKPAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O/c1-15-10-16(2)23-17(3)12-20(13-19(23)11-15)25-24-22-9-8-18-6-4-5-7-21(18)26(22)30-27(24)29-14-28-25/h4-14H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 388.47 g/mol, XLogP of 7.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168816751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).