10-(3,4-dimethylphenyl)-11,12-dimethyl-4-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C23H21N5 — CID 20898451

IUPAC10-(3,4-dimethylphenyl)-11,12-dimethyl-4-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccccc4)nc32)cc1C
InChIInChI=1S/C23H21N5/c1-14-10-11-19(12-15(14)2)28-17(4)16(3)20-22(28)24-13-27-23(20)25-21(26-27)18-8-6-5-7-9-18/h5-13H,1-4H3
InChIKeyUWAPBFVRFIGCSA-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.97
Rot. Bonds2

About 10-(3,4-dimethylphenyl)-11,12-dimethyl-4-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

10-(3,4-dimethylphenyl)-11,12-dimethyl-4-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 20898451) has the molecular formula C23H21N5 and a molecular weight of 367.46 g/mol. Its IUPAC name is 10-(3,4-dimethylphenyl)-11,12-dimethyl-4-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name10-(3,4-dimethylphenyl)-11,12-dimethyl-4-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID20898451
Molecular FormulaC23H21N5
Molecular Weight367.46 g/mol
Exact Mass367.18
IUPAC Name10-(3,4-dimethylphenyl)-11,12-dimethyl-4-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccccc4)nc32)cc1C
InChIInChI=1S/C23H21N5/c1-14-10-11-19(12-15(14)2)28-17(4)16(3)20-22(28)24-13-27-23(20)25-21(26-27)18-8-6-5-7-9-18/h5-13H,1-4H3
InChIKeyUWAPBFVRFIGCSA-UHFFFAOYSA-N
XLogP4.97
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-(3,4-dimethylphenyl)-11,12-dimethyl-4-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(3,4-dimethylphenyl)-11,12-dimethyl-4-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 10-(3,4-dimethylphenyl)-11,12-dimethyl-4-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 20898451) is 10-(3,4-dimethylphenyl)-11,12-dimethyl-4-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 10-(3,4-dimethylphenyl)-11,12-dimethyl-4-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 10-(3,4-dimethylphenyl)-11,12-dimethyl-4-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is Cc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccccc4)nc32)cc1C.
What is the InChIKey of 10-(3,4-dimethylphenyl)-11,12-dimethyl-4-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is UWAPBFVRFIGCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5/c1-14-10-11-19(12-15(14)2)28-17(4)16(3)20-22(28)24-13-27-23(20)25-21(26-27)18-8-6-5-7-9-18/h5-13H,1-4H3.
What are the key properties of 10-(3,4-dimethylphenyl)-11,12-dimethyl-4-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
10-(3,4-dimethylphenyl)-11,12-dimethyl-4-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 367.46 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,4-dimethylphenyl)-11,12-dimethyl-4-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 20898451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).