2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine

C23H20N6O2 — CID 134140871

IUPAC2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
SMILESc1ccc(Nc2nc(Nc3ccccc3)nc(Nc3ccc4c(c3)OCCO4)n2)cc1
InChIInChI=1S/C23H20N6O2/c1-3-7-16(8-4-1)24-21-27-22(25-17-9-5-2-6-10-17)29-23(28-21)26-18-11-12-19-20(15-18)31-14-13-30-19/h1-12,15H,13-14H2,(H3,24,25,26,27,28,29)
InChIKeyQIZRWQRHMAFFBY-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.87
Rot. Bonds6

About 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine

2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 134140871) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
PubChem CID134140871
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC Name2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
SMILESc1ccc(Nc2nc(Nc3ccccc3)nc(Nc3ccc4c(c3)OCCO4)n2)cc1
InChIInChI=1S/C23H20N6O2/c1-3-7-16(8-4-1)24-21-27-22(25-17-9-5-2-6-10-17)29-23(28-21)26-18-11-12-19-20(15-18)31-14-13-30-19/h1-12,15H,13-14H2,(H3,24,25,26,27,28,29)
InChIKeyQIZRWQRHMAFFBY-UHFFFAOYSA-N
XLogP4.87
TPSA93.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine (CID 134140871) is 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine is c1ccc(Nc2nc(Nc3ccccc3)nc(Nc3ccc4c(c3)OCCO4)n2)cc1.
What is the InChIKey of 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is QIZRWQRHMAFFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2/c1-3-7-16(8-4-1)24-21-27-22(25-17-9-5-2-6-10-17)29-23(28-21)26-18-11-12-19-20(15-18)31-14-13-30-19/h1-12,15H,13-14H2,(H3,24,25,26,27,28,29).
What are the key properties of 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 412.45 g/mol, XLogP of 4.87, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 134140871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).