2-(4-methyl-2-phenylphenyl)-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene

C25H19N3 — CID 59573371

IUPAC2-(4-methyl-2-phenylphenyl)-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
SMILESCc1ccc(N2c3ncccc3C=Cc3cccnc32)c(-c2ccccc2)c1
InChIInChI=1S/C25H19N3/c1-18-11-14-23(22(17-18)19-7-3-2-4-8-19)28-24-20(9-5-15-26-24)12-13-21-10-6-16-27-25(21)28/h2-17H,1H3
InChIKeyHOFIVFHRUIDDQJ-UHFFFAOYSA-N
MW361.45 g/mol
LogP6.41
Rot. Bonds2

About 2-(4-methyl-2-phenylphenyl)-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene

2-(4-methyl-2-phenylphenyl)-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene (PubChem CID 59573371) has the molecular formula C25H19N3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(4-methyl-2-phenylphenyl)-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene.

Molecular Properties

Compound Name2-(4-methyl-2-phenylphenyl)-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
PubChem CID59573371
Molecular FormulaC25H19N3
Molecular Weight361.45 g/mol
Exact Mass361.16
IUPAC Name2-(4-methyl-2-phenylphenyl)-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
SMILESCc1ccc(N2c3ncccc3C=Cc3cccnc32)c(-c2ccccc2)c1
InChIInChI=1S/C25H19N3/c1-18-11-14-23(22(17-18)19-7-3-2-4-8-19)28-24-20(9-5-15-26-24)12-13-21-10-6-16-27-25(21)28/h2-17H,1H3
InChIKeyHOFIVFHRUIDDQJ-UHFFFAOYSA-N
XLogP6.41
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-phenylphenyl)-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The IUPAC name of 2-(4-methyl-2-phenylphenyl)-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene (CID 59573371) is 2-(4-methyl-2-phenylphenyl)-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene.
What is the SMILES notation for 2-(4-methyl-2-phenylphenyl)-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The canonical SMILES for 2-(4-methyl-2-phenylphenyl)-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene is Cc1ccc(N2c3ncccc3C=Cc3cccnc32)c(-c2ccccc2)c1.
What is the InChIKey of 2-(4-methyl-2-phenylphenyl)-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The InChIKey is HOFIVFHRUIDDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3/c1-18-11-14-23(22(17-18)19-7-3-2-4-8-19)28-24-20(9-5-15-26-24)12-13-21-10-6-16-27-25(21)28/h2-17H,1H3.
What are the key properties of 2-(4-methyl-2-phenylphenyl)-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
2-(4-methyl-2-phenylphenyl)-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene has a molecular weight of 361.45 g/mol, XLogP of 6.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-phenylphenyl)-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene is sourced from PubChem (CID 59573371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).