9-methyl-6-phenyl-2-azatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,9,11,13,15-octaene

C23H19N — CID 134390860

IUPAC9-methyl-6-phenyl-2-azatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,9,11,13,15-octaene
SMILESCc1cccc2ccccc2[nH]c2ccc(-c3ccccc3)cc12
InChIInChI=1S/C23H19N/c1-17-8-7-12-19-11-5-6-13-22(19)24-23-15-14-20(16-21(17)23)18-9-3-2-4-10-18/h2-16,24H,1H3/b12-7-,17-8-
InChIKeyRDJWVMNVSPALJM-UOWJXHAGSA-N
MW309.41 g/mol
LogP6.42
Rot. Bonds1

About 9-methyl-6-phenyl-2-azatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,9,11,13,15-octaene

9-methyl-6-phenyl-2-azatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,9,11,13,15-octaene (PubChem CID 134390860) has the molecular formula C23H19N and a molecular weight of 309.41 g/mol. Its IUPAC name is 9-methyl-6-phenyl-2-azatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,9,11,13,15-octaene.

Molecular Properties

Compound Name9-methyl-6-phenyl-2-azatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,9,11,13,15-octaene
PubChem CID134390860
Molecular FormulaC23H19N
Molecular Weight309.41 g/mol
Exact Mass309.15
IUPAC Name9-methyl-6-phenyl-2-azatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,9,11,13,15-octaene
SMILESCc1cccc2ccccc2[nH]c2ccc(-c3ccccc3)cc12
InChIInChI=1S/C23H19N/c1-17-8-7-12-19-11-5-6-13-22(19)24-23-15-14-20(16-21(17)23)18-9-3-2-4-10-18/h2-16,24H,1H3/b12-7-,17-8-
InChIKeyRDJWVMNVSPALJM-UOWJXHAGSA-N
XLogP6.42
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.41
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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3-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]-9H-carbazole
CID 146669504
4-naphthalen-1-yl-3,6-diphenyl-9H-carbazole
CID 174595871
2-(8-methylnaphthalen-2-yl)-4,5-diphenyl-1H-imidazole
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5-methyl-2-naphthalen-2-yl-9H-carbazole
CID 141441322
2-[10-(4-phenylphenyl)anthracen-9-yl]-5H-benzo[b]carbazole
CID 90433276
2,4-dimethyl-1H-indole;ethane
CID 91303970

Frequently Asked Questions

What is the IUPAC name of 9-methyl-6-phenyl-2-azatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,9,11,13,15-octaene?
The IUPAC name of 9-methyl-6-phenyl-2-azatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,9,11,13,15-octaene (CID 134390860) is 9-methyl-6-phenyl-2-azatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,9,11,13,15-octaene.
What is the SMILES notation for 9-methyl-6-phenyl-2-azatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,9,11,13,15-octaene?
The canonical SMILES for 9-methyl-6-phenyl-2-azatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,9,11,13,15-octaene is Cc1cccc2ccccc2[nH]c2ccc(-c3ccccc3)cc12.
What is the InChIKey of 9-methyl-6-phenyl-2-azatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,9,11,13,15-octaene?
The InChIKey is RDJWVMNVSPALJM-UOWJXHAGSA-N. The full InChI is InChI=1S/C23H19N/c1-17-8-7-12-19-11-5-6-13-22(19)24-23-15-14-20(16-21(17)23)18-9-3-2-4-10-18/h2-16,24H,1H3/b12-7-,17-8-.
What are the key properties of 9-methyl-6-phenyl-2-azatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,9,11,13,15-octaene?
9-methyl-6-phenyl-2-azatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,9,11,13,15-octaene has a molecular weight of 309.41 g/mol, XLogP of 6.42, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-phenyl-2-azatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,9,11,13,15-octaene is sourced from PubChem (CID 134390860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).