15-(4-propan-2-ylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene

C23H18N2O — CID 168815880

IUPAC15-(4-propan-2-ylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
SMILESCC(C)c1ccc(-c2ncnc3c2oc2cc4ccccc4cc23)cc1
InChIInChI=1S/C23H18N2O/c1-14(2)15-7-9-16(10-8-15)21-23-22(25-13-24-21)19-11-17-5-3-4-6-18(17)12-20(19)26-23/h3-14H,1-2H3
InChIKeyYBKLNXZPSYBUNV-UHFFFAOYSA-N
MW338.41 g/mol
LogP6.32
Rot. Bonds2

About 15-(4-propan-2-ylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene

15-(4-propan-2-ylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene (PubChem CID 168815880) has the molecular formula C23H18N2O and a molecular weight of 338.41 g/mol. Its IUPAC name is 15-(4-propan-2-ylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene.

Molecular Properties

Compound Name15-(4-propan-2-ylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
PubChem CID168815880
Molecular FormulaC23H18N2O
Molecular Weight338.41 g/mol
Exact Mass338.14
IUPAC Name15-(4-propan-2-ylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
SMILESCC(C)c1ccc(-c2ncnc3c2oc2cc4ccccc4cc23)cc1
InChIInChI=1S/C23H18N2O/c1-14(2)15-7-9-16(10-8-15)21-23-22(25-13-24-21)19-11-17-5-3-4-6-18(17)12-20(19)26-23/h3-14H,1-2H3
InChIKeyYBKLNXZPSYBUNV-UHFFFAOYSA-N
XLogP6.32
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 15-(4-propan-2-ylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene 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

7-(4,4-dimethylcyclohexyl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine
CID 176865276
12-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-6-(4-phenylphenyl)-8-oxa-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
CID 162774872
4-[3,5-di(propan-2-yl)phenyl]-7-perimidin-1-yl-[1]benzofuro[3,2-d]pyrimidine
CID 171578808
6-naphthalen-2-yl-3-propan-2-yldibenzofuran
CID 164821911
8-(4-phenylphenyl)-4-(3-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 167236752
1,2,3,4-tetrakis(4-propan-2-ylphenyl)anthracene
CID 174880220
15-methyl-12-(4-methylphenyl)-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 167030941
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
4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylphenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 118245310
4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 118245556
2-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline;13-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 158790533
4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine
CID 156867518

Frequently Asked Questions

What is the IUPAC name of 15-(4-propan-2-ylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The IUPAC name of 15-(4-propan-2-ylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene (CID 168815880) is 15-(4-propan-2-ylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene.
What is the SMILES notation for 15-(4-propan-2-ylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The canonical SMILES for 15-(4-propan-2-ylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene is CC(C)c1ccc(-c2ncnc3c2oc2cc4ccccc4cc23)cc1.
What is the InChIKey of 15-(4-propan-2-ylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The InChIKey is YBKLNXZPSYBUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O/c1-14(2)15-7-9-16(10-8-15)21-23-22(25-13-24-21)19-11-17-5-3-4-6-18(17)12-20(19)26-23/h3-14H,1-2H3.
What are the key properties of 15-(4-propan-2-ylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
15-(4-propan-2-ylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene has a molecular weight of 338.41 g/mol, XLogP of 6.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(4-propan-2-ylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene is sourced from PubChem (CID 168815880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).