8-(2-propan-2-ylphenyl)-13-(trideuteriomethyl)-8,10,13-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11-pentaene

C22H23N3 — CID 118262199

IUPAC8-(2-propan-2-ylphenyl)-13-(trideuteriomethyl)-8,10,13-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11-pentaene
SMILES[2H]C([2H])([2H])N1C=CN2c3c(c4ccccc4n3-c3ccccc3C(C)C)CC21
InChIInChI=1S/C22H23N3/c1-15(2)16-8-4-6-10-19(16)25-20-11-7-5-9-17(20)18-14-21-23(3)12-13-24(21)22(18)25/h4-13,15,21H,14H2,1-3H3/i3D3
InChIKeyPKPAUTITULCSGQ-HPRDVNIFSA-N
MW332.47 g/mol
LogP4.86
Rot. Bonds3

About 8-(2-propan-2-ylphenyl)-13-(trideuteriomethyl)-8,10,13-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11-pentaene

8-(2-propan-2-ylphenyl)-13-(trideuteriomethyl)-8,10,13-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11-pentaene (PubChem CID 118262199) has the molecular formula C22H23N3 and a molecular weight of 332.47 g/mol. Its IUPAC name is 8-(2-propan-2-ylphenyl)-13-(trideuteriomethyl)-8,10,13-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11-pentaene.

Molecular Properties

Compound Name8-(2-propan-2-ylphenyl)-13-(trideuteriomethyl)-8,10,13-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11-pentaene
PubChem CID118262199
Molecular FormulaC22H23N3
Molecular Weight332.47 g/mol
Exact Mass332.21
IUPAC Name8-(2-propan-2-ylphenyl)-13-(trideuteriomethyl)-8,10,13-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11-pentaene
SMILES[2H]C([2H])([2H])N1C=CN2c3c(c4ccccc4n3-c3ccccc3C(C)C)CC21
InChIInChI=1S/C22H23N3/c1-15(2)16-8-4-6-10-19(16)25-20-11-7-5-9-17(20)18-14-21-23(3)12-13-24(21)22(18)25/h4-13,15,21H,14H2,1-3H3/i3D3
InChIKeyPKPAUTITULCSGQ-HPRDVNIFSA-N
XLogP4.86
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(2-propan-2-ylphenyl)-13-(trideuteriomethyl)-8,10,13-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(2-propan-2-ylphenyl)-13-(trideuteriomethyl)-8,10,13-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11-pentaene?
The IUPAC name of 8-(2-propan-2-ylphenyl)-13-(trideuteriomethyl)-8,10,13-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11-pentaene (CID 118262199) is 8-(2-propan-2-ylphenyl)-13-(trideuteriomethyl)-8,10,13-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11-pentaene.
What is the SMILES notation for 8-(2-propan-2-ylphenyl)-13-(trideuteriomethyl)-8,10,13-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11-pentaene?
The canonical SMILES for 8-(2-propan-2-ylphenyl)-13-(trideuteriomethyl)-8,10,13-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11-pentaene is [2H]C([2H])([2H])N1C=CN2c3c(c4ccccc4n3-c3ccccc3C(C)C)CC21.
What is the InChIKey of 8-(2-propan-2-ylphenyl)-13-(trideuteriomethyl)-8,10,13-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11-pentaene?
The InChIKey is PKPAUTITULCSGQ-HPRDVNIFSA-N. The full InChI is InChI=1S/C22H23N3/c1-15(2)16-8-4-6-10-19(16)25-20-11-7-5-9-17(20)18-14-21-23(3)12-13-24(21)22(18)25/h4-13,15,21H,14H2,1-3H3/i3D3.
What are the key properties of 8-(2-propan-2-ylphenyl)-13-(trideuteriomethyl)-8,10,13-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11-pentaene?
8-(2-propan-2-ylphenyl)-13-(trideuteriomethyl)-8,10,13-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11-pentaene has a molecular weight of 332.47 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-propan-2-ylphenyl)-13-(trideuteriomethyl)-8,10,13-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11-pentaene is sourced from PubChem (CID 118262199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).