2-deuterio-15-(3,5-dimethylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene

C23H17NO — CID 176749058

IUPAC2-deuterio-15-(3,5-dimethylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
SMILES[2H]c1c2ccccc2cc2c1oc1c(-c3cc(C)cc(C)c3)nccc12
InChIInChI=1S/C23H17NO/c1-14-9-15(2)11-18(10-14)22-23-19(7-8-24-22)20-12-16-5-3-4-6-17(16)13-21(20)25-23/h3-13H,1-2H3/i13D
InChIKeyXWFKEKRKGOXHRA-YSOHJTORSA-N
MW324.40 g/mol
LogP6.42
Rot. Bonds1

About 2-deuterio-15-(3,5-dimethylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene

2-deuterio-15-(3,5-dimethylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene (PubChem CID 176749058) has the molecular formula C23H17NO and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-deuterio-15-(3,5-dimethylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene.

Molecular Properties

Compound Name2-deuterio-15-(3,5-dimethylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
PubChem CID176749058
Molecular FormulaC23H17NO
Molecular Weight324.40 g/mol
Exact Mass324.14
IUPAC Name2-deuterio-15-(3,5-dimethylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
SMILES[2H]c1c2ccccc2cc2c1oc1c(-c3cc(C)cc(C)c3)nccc12
InChIInChI=1S/C23H17NO/c1-14-9-15(2)11-18(10-14)22-23-19(7-8-24-22)20-12-16-5-3-4-6-17(16)13-21(20)25-23/h3-13H,1-2H3/i13D
InChIKeyXWFKEKRKGOXHRA-YSOHJTORSA-N
XLogP6.42
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.40
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-deuterio-15-(3,5-dimethylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene with MolForge

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Related Compounds

1-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridine
CID 176724013
[6-(3,5-dimethylphenyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-trimethylgermane
CID 166018646
7-(3,5-dimethylphenyl)-2-phenylfuro[2,3-c]pyridine
CID 153444977
15-(3-methylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene
CID 170679013
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
[1-(4-tert-butylnaphthalen-2-yl)-[1]benzofuro[2,3-c]pyridin-6-yl]-trimethylgermane
CID 166018616
10-isoquinolin-3-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 168745979
1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 118245530
trimethyl-[1-[4-(2-methylpropyl)naphthalen-2-yl]-[1]benzofuro[2,3-c]pyridin-6-yl]germane
CID 166018585
3-(3,5-dimethylphenyl)-[1]benzofuro[2,3-c]pyridine
CID 140577687
2-[4-[3-(17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-15-yl)-5-phenylphenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol
CID 162784223
2-[4-(2,2-dimethylpropyl)phenyl]-3-methyl-7-naphtho[2,3-b][1]benzofuran-4-ylthieno[2,3-c]pyridine
CID 170689472

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-15-(3,5-dimethylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The IUPAC name of 2-deuterio-15-(3,5-dimethylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene (CID 176749058) is 2-deuterio-15-(3,5-dimethylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene.
What is the SMILES notation for 2-deuterio-15-(3,5-dimethylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The canonical SMILES for 2-deuterio-15-(3,5-dimethylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene is [2H]c1c2ccccc2cc2c1oc1c(-c3cc(C)cc(C)c3)nccc12.
What is the InChIKey of 2-deuterio-15-(3,5-dimethylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The InChIKey is XWFKEKRKGOXHRA-YSOHJTORSA-N. The full InChI is InChI=1S/C23H17NO/c1-14-9-15(2)11-18(10-14)22-23-19(7-8-24-22)20-12-16-5-3-4-6-17(16)13-21(20)25-23/h3-13H,1-2H3/i13D.
What are the key properties of 2-deuterio-15-(3,5-dimethylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
2-deuterio-15-(3,5-dimethylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene has a molecular weight of 324.40 g/mol, XLogP of 6.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-15-(3,5-dimethylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene is sourced from PubChem (CID 176749058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).