10,10-diethyl-2-phenyl-1,3,11-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,4,6,8(15),12-pentaene

C22H23N3 — CID 123969218

IUPAC10,10-diethyl-2-phenyl-1,3,11-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,4,6,8(15),12-pentaene
SMILESCCC1(CC)Cc2cccc3c2C2N(C=CN21)C(c1ccccc1)=N3
InChIInChI=1S/C22H23N3/c1-3-22(4-2)15-17-11-8-12-18-19(17)21-24(13-14-25(21)22)20(23-18)16-9-6-5-7-10-16/h5-14,21H,3-4,15H2,1-2H3
InChIKeyRBHOUJDGYDBJCZ-UHFFFAOYSA-N
MW329.45 g/mol
LogP4.98
Rot. Bonds3

About 10,10-diethyl-2-phenyl-1,3,11-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,4,6,8(15),12-pentaene

10,10-diethyl-2-phenyl-1,3,11-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,4,6,8(15),12-pentaene (PubChem CID 123969218) has the molecular formula C22H23N3 and a molecular weight of 329.45 g/mol. Its IUPAC name is 10,10-diethyl-2-phenyl-1,3,11-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,4,6,8(15),12-pentaene.

Molecular Properties

Compound Name10,10-diethyl-2-phenyl-1,3,11-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,4,6,8(15),12-pentaene
PubChem CID123969218
Molecular FormulaC22H23N3
Molecular Weight329.45 g/mol
Exact Mass329.19
IUPAC Name10,10-diethyl-2-phenyl-1,3,11-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,4,6,8(15),12-pentaene
SMILESCCC1(CC)Cc2cccc3c2C2N(C=CN21)C(c1ccccc1)=N3
InChIInChI=1S/C22H23N3/c1-3-22(4-2)15-17-11-8-12-18-19(17)21-24(13-14-25(21)22)20(23-18)16-9-6-5-7-10-16/h5-14,21H,3-4,15H2,1-2H3
InChIKeyRBHOUJDGYDBJCZ-UHFFFAOYSA-N
XLogP4.98
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10,10-diethyl-2-phenyl-1,3,11-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,4,6,8(15),12-pentaene?
The IUPAC name of 10,10-diethyl-2-phenyl-1,3,11-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,4,6,8(15),12-pentaene (CID 123969218) is 10,10-diethyl-2-phenyl-1,3,11-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,4,6,8(15),12-pentaene.
What is the SMILES notation for 10,10-diethyl-2-phenyl-1,3,11-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,4,6,8(15),12-pentaene?
The canonical SMILES for 10,10-diethyl-2-phenyl-1,3,11-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,4,6,8(15),12-pentaene is CCC1(CC)Cc2cccc3c2C2N(C=CN21)C(c1ccccc1)=N3.
What is the InChIKey of 10,10-diethyl-2-phenyl-1,3,11-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,4,6,8(15),12-pentaene?
The InChIKey is RBHOUJDGYDBJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3/c1-3-22(4-2)15-17-11-8-12-18-19(17)21-24(13-14-25(21)22)20(23-18)16-9-6-5-7-10-16/h5-14,21H,3-4,15H2,1-2H3.
What are the key properties of 10,10-diethyl-2-phenyl-1,3,11-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,4,6,8(15),12-pentaene?
10,10-diethyl-2-phenyl-1,3,11-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,4,6,8(15),12-pentaene has a molecular weight of 329.45 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-diethyl-2-phenyl-1,3,11-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,4,6,8(15),12-pentaene is sourced from PubChem (CID 123969218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).