2-[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-dimethyl-1,3,5-triazine

C22H20N6 — CID 20652058

IUPAC2-[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-dimethyl-1,3,5-triazine
SMILESCc1nc(C)nc(-c2ccc(-c3ccc(-c4nc(C)nc(C)n4)cc3)cc2)n1
InChIInChI=1S/C22H20N6/c1-13-23-14(2)26-21(25-13)19-9-5-17(6-10-19)18-7-11-20(12-8-18)22-27-15(3)24-16(4)28-22/h5-12H,1-4H3
InChIKeyASXJWBGTQXNUSO-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.29
Rot. Bonds3

About 2-[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-dimethyl-1,3,5-triazine

2-[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-dimethyl-1,3,5-triazine (PubChem CID 20652058) has the molecular formula C22H20N6 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-dimethyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-dimethyl-1,3,5-triazine
PubChem CID20652058
Molecular FormulaC22H20N6
Molecular Weight368.44 g/mol
Exact Mass368.17
IUPAC Name2-[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-dimethyl-1,3,5-triazine
SMILESCc1nc(C)nc(-c2ccc(-c3ccc(-c4nc(C)nc(C)n4)cc3)cc2)n1
InChIInChI=1S/C22H20N6/c1-13-23-14(2)26-21(25-13)19-9-5-17(6-10-19)18-7-11-20(12-8-18)22-27-15(3)24-16(4)28-22/h5-12H,1-4H3
InChIKeyASXJWBGTQXNUSO-UHFFFAOYSA-N
XLogP4.29
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-dimethyl-1,3,5-triazine?
The IUPAC name of 2-[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-dimethyl-1,3,5-triazine (CID 20652058) is 2-[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-dimethyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-dimethyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-dimethyl-1,3,5-triazine is Cc1nc(C)nc(-c2ccc(-c3ccc(-c4nc(C)nc(C)n4)cc3)cc2)n1.
What is the InChIKey of 2-[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-dimethyl-1,3,5-triazine?
The InChIKey is ASXJWBGTQXNUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6/c1-13-23-14(2)26-21(25-13)19-9-5-17(6-10-19)18-7-11-20(12-8-18)22-27-15(3)24-16(4)28-22/h5-12H,1-4H3.
What are the key properties of 2-[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-dimethyl-1,3,5-triazine?
2-[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-dimethyl-1,3,5-triazine has a molecular weight of 368.44 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-dimethyl-1,3,5-triazine is sourced from PubChem (CID 20652058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).