2,4,6-tris(2-phenylimidazol-1-yl)-1,3,5-triazine

C30H21N9 — CID 4172227

IUPAC2,4,6-tris(2-phenylimidazol-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2nccn2-c2nc(-n3ccnc3-c3ccccc3)nc(-n3ccnc3-c3ccccc3)n2)cc1
InChIInChI=1S/C30H21N9/c1-4-10-22(11-5-1)25-31-16-19-37(25)28-34-29(38-20-17-32-26(38)23-12-6-2-7-13-23)36-30(35-28)39-21-18-33-27(39)24-14-8-3-9-15-24/h1-21H
InChIKeyKHLZBYCNKIOPEP-UHFFFAOYSA-N
MW507.56 g/mol
LogP5.43
Rot. Bonds6

About 2,4,6-tris(2-phenylimidazol-1-yl)-1,3,5-triazine

2,4,6-tris(2-phenylimidazol-1-yl)-1,3,5-triazine (PubChem CID 4172227) has the molecular formula C30H21N9 and a molecular weight of 507.56 g/mol. Its IUPAC name is 2,4,6-tris(2-phenylimidazol-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(2-phenylimidazol-1-yl)-1,3,5-triazine
PubChem CID4172227
Molecular FormulaC30H21N9
Molecular Weight507.56 g/mol
Exact Mass507.19
IUPAC Name2,4,6-tris(2-phenylimidazol-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2nccn2-c2nc(-n3ccnc3-c3ccccc3)nc(-n3ccnc3-c3ccccc3)n2)cc1
InChIInChI=1S/C30H21N9/c1-4-10-22(11-5-1)25-31-16-19-37(25)28-34-29(38-20-17-32-26(38)23-12-6-2-7-13-23)36-30(35-28)39-21-18-33-27(39)24-14-8-3-9-15-24/h1-21H
InChIKeyKHLZBYCNKIOPEP-UHFFFAOYSA-N
XLogP5.43
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.56
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(2-phenylimidazol-1-yl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(2-phenylimidazol-1-yl)-1,3,5-triazine (CID 4172227) is 2,4,6-tris(2-phenylimidazol-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(2-phenylimidazol-1-yl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(2-phenylimidazol-1-yl)-1,3,5-triazine is c1ccc(-c2nccn2-c2nc(-n3ccnc3-c3ccccc3)nc(-n3ccnc3-c3ccccc3)n2)cc1.
What is the InChIKey of 2,4,6-tris(2-phenylimidazol-1-yl)-1,3,5-triazine?
The InChIKey is KHLZBYCNKIOPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N9/c1-4-10-22(11-5-1)25-31-16-19-37(25)28-34-29(38-20-17-32-26(38)23-12-6-2-7-13-23)36-30(35-28)39-21-18-33-27(39)24-14-8-3-9-15-24/h1-21H.
What are the key properties of 2,4,6-tris(2-phenylimidazol-1-yl)-1,3,5-triazine?
2,4,6-tris(2-phenylimidazol-1-yl)-1,3,5-triazine has a molecular weight of 507.56 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(2-phenylimidazol-1-yl)-1,3,5-triazine is sourced from PubChem (CID 4172227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).