4,10,12-triphenyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-3,6,8,11-tetraene

C25H19N5 — CID 57397286

IUPAC4,10,12-triphenyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-3,6,8,11-tetraene
SMILESC1=C(c2ccccc2)NC2=NC=C3N(c4ccccc4)N=C(c4ccccc4)N3C12
InChIInChI=1S/C25H19N5/c1-4-10-18(11-5-1)21-16-22-24(27-21)26-17-23-29(22)25(19-12-6-2-7-13-19)28-30(23)20-14-8-3-9-15-20/h1-17,22H,(H,26,27)
InChIKeySSYDDBTUFYJMFD-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.39
Rot. Bonds3

About 4,10,12-triphenyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-3,6,8,11-tetraene

4,10,12-triphenyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-3,6,8,11-tetraene (PubChem CID 57397286) has the molecular formula C25H19N5 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4,10,12-triphenyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-3,6,8,11-tetraene.

Molecular Properties

Compound Name4,10,12-triphenyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-3,6,8,11-tetraene
PubChem CID57397286
Molecular FormulaC25H19N5
Molecular Weight389.46 g/mol
Exact Mass389.16
IUPAC Name4,10,12-triphenyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-3,6,8,11-tetraene
SMILESC1=C(c2ccccc2)NC2=NC=C3N(c4ccccc4)N=C(c4ccccc4)N3C12
InChIInChI=1S/C25H19N5/c1-4-10-18(11-5-1)21-16-22-24(27-21)26-17-23-29(22)25(19-12-6-2-7-13-19)28-30(23)20-14-8-3-9-15-20/h1-17,22H,(H,26,27)
InChIKeySSYDDBTUFYJMFD-UHFFFAOYSA-N
XLogP4.39
TPSA43.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,10,12-triphenyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-3,6,8,11-tetraene?
The IUPAC name of 4,10,12-triphenyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-3,6,8,11-tetraene (CID 57397286) is 4,10,12-triphenyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-3,6,8,11-tetraene.
What is the SMILES notation for 4,10,12-triphenyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-3,6,8,11-tetraene?
The canonical SMILES for 4,10,12-triphenyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-3,6,8,11-tetraene is C1=C(c2ccccc2)NC2=NC=C3N(c4ccccc4)N=C(c4ccccc4)N3C12.
What is the InChIKey of 4,10,12-triphenyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-3,6,8,11-tetraene?
The InChIKey is SSYDDBTUFYJMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5/c1-4-10-18(11-5-1)21-16-22-24(27-21)26-17-23-29(22)25(19-12-6-2-7-13-19)28-30(23)20-14-8-3-9-15-20/h1-17,22H,(H,26,27).
What are the key properties of 4,10,12-triphenyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-3,6,8,11-tetraene?
4,10,12-triphenyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-3,6,8,11-tetraene has a molecular weight of 389.46 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10,12-triphenyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-3,6,8,11-tetraene is sourced from PubChem (CID 57397286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).