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

C27H20N2O — CID 168816413

IUPAC16-(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
SMILESCC(C)c1ccc(-c2ncnc3oc4ccc5ccccc5c4c23)c2ccccc12
InChIInChI=1S/C27H20N2O/c1-16(2)18-12-13-22(21-10-6-5-9-20(18)21)26-25-24-19-8-4-3-7-17(19)11-14-23(24)30-27(25)29-15-28-26/h3-16H,1-2H3
InChIKeyPRIUMYCESRUTMW-UHFFFAOYSA-N
MW388.47 g/mol
LogP7.47
Rot. Bonds2

About 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

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 (PubChem CID 168816413) has the molecular formula C27H20N2O and a molecular weight of 388.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name16-(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
PubChem CID168816413
Molecular FormulaC27H20N2O
Molecular Weight388.47 g/mol
Exact Mass388.16
IUPAC Name16-(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
SMILESCC(C)c1ccc(-c2ncnc3oc4ccc5ccccc5c4c23)c2ccccc12
InChIInChI=1S/C27H20N2O/c1-16(2)18-12-13-22(21-10-6-5-9-20(18)21)26-25-24-19-8-4-3-7-17(19)11-14-23(24)30-27(25)29-15-28-26/h3-16H,1-2H3
InChIKeyPRIUMYCESRUTMW-UHFFFAOYSA-N
XLogP7.47
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 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
4-(2-propan-2-ylphenyl)benzo[h]quinazoline
CID 140737642
13-methyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 11457340
4-dibenzofuran-4-yl-10-propan-2-ylbenzo[h]quinazoline
CID 162693258
1-propan-2-ylphenanthrene
CID 12628671
2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-5-propan-2-ylquinoline
CID 154600584
13-methyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;trimethylphosphane
CID 157162301
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
heptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,8,10,12,14,16,18,20,22,24(36),25,27,29,32,34-octadecaene
CID 59760658
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1ccc(-c2ncnc3oc4ccc5ccccc5c4c23)c2ccccc12.
What is the InChIKey of 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?
The InChIKey is PRIUMYCESRUTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O/c1-16(2)18-12-13-22(21-10-6-5-9-20(18)21)26-25-24-19-8-4-3-7-17(19)11-14-23(24)30-27(25)29-15-28-26/h3-16H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 388.47 g/mol, XLogP of 7.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168816413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).