hexakis(2,4,5,6,7,8-hexamethylquinazoline);2,4,6-trimethyl-1,3,5-triazine

C90H117N15 — CID 159474049

IUPAChexakis(2,4,5,6,7,8-hexamethylquinazoline);2,4,6-trimethyl-1,3,5-triazine
SMILESCc1nc(C)c2c(C)c(C)c(C)c(C)c2n1.Cc1nc(C)c2c(C)c(C)c(C)c(C)c2n1.Cc1nc(C)c2c(C)c(C)c(C)c(C)c2n1.Cc1nc(C)c2c(C)c(C)c(C)c(C)c2n1.Cc1nc(C)c2c(C)c(C)c(C)c(C)c2n1.Cc1nc(C)c2c(C)c(C)c(C)c(C)c2n1.Cc1nc(C)nc(C)n1
InChIInChI=1S/6C14H18N2.C6H9N3/c6*1-7-8(2)10(4)14-13(9(7)3)11(5)15-12(6)16-14;1-4-7-5(2)9-6(3)8-4/h6*1-6H3;1-3H3
InChIKeyLWDROSKFHMHSGX-UHFFFAOYSA-N
MW1409.03 g/mol
LogP21.68
Rot. Bonds

About hexakis(2,4,5,6,7,8-hexamethylquinazoline);2,4,6-trimethyl-1,3,5-triazine

hexakis(2,4,5,6,7,8-hexamethylquinazoline);2,4,6-trimethyl-1,3,5-triazine (PubChem CID 159474049) has the molecular formula C90H117N15 and a molecular weight of 1409.03 g/mol. Its IUPAC name is hexakis(2,4,5,6,7,8-hexamethylquinazoline);2,4,6-trimethyl-1,3,5-triazine.

Molecular Properties

Compound Namehexakis(2,4,5,6,7,8-hexamethylquinazoline);2,4,6-trimethyl-1,3,5-triazine
PubChem CID159474049
Molecular FormulaC90H117N15
Molecular Weight1409.03 g/mol
Exact Mass1407.96
IUPAC Namehexakis(2,4,5,6,7,8-hexamethylquinazoline);2,4,6-trimethyl-1,3,5-triazine
SMILESCc1nc(C)c2c(C)c(C)c(C)c(C)c2n1.Cc1nc(C)c2c(C)c(C)c(C)c(C)c2n1.Cc1nc(C)c2c(C)c(C)c(C)c(C)c2n1.Cc1nc(C)c2c(C)c(C)c(C)c(C)c2n1.Cc1nc(C)c2c(C)c(C)c(C)c(C)c2n1.Cc1nc(C)c2c(C)c(C)c(C)c(C)c2n1.Cc1nc(C)nc(C)n1
InChIInChI=1S/6C14H18N2.C6H9N3/c6*1-7-8(2)10(4)14-13(9(7)3)11(5)15-12(6)16-14;1-4-7-5(2)9-6(3)8-4/h6*1-6H3;1-3H3
InChIKeyLWDROSKFHMHSGX-UHFFFAOYSA-N
XLogP21.68
TPSA193.35 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001409.03
LogP ≤ 521.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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Related Compounds

tetrakis(2,4,5,6,7,8-hexamethylquinazoline);2,4,6-trimethyl-1,3,5-triazine
CID 159228975
2-chloro-4,5,6,7,8-pentamethylquinazoline
CID 59892833
1,2,3,4,5,6,7,8-octamethylnaphthalene;2,4,5,6-tetramethylpyrimidine
CID 91135840
tris(2,3,4,5,6-pentamethylpyridine);tris(2,4,5,6-tetramethylpyrimidine)
CID 157180275
bis(2,3,4,5,6,7,8-heptamethylquinoline);3,4,5,6,7,8-hexamethylcinnoline;2,3,4,5,6,7-hexamethyl-1,8-naphthyridine;1,2,3,4,5,6-hexamethylpyrrolo[2,3-b]pyridine;2,4,5,6,7,8-hexamethylquinazoline;2,3,5,6,7,8-hexamethylquinoxaline;1,2,3,4,5,6,7,8-octamethylnaphthalene
CID 161268994
2-(4,5,6,7,8-pentamethylquinazolin-2-yl)oxyethanol
CID 54034458
tris(2,3,4,5,6-pentamethylpyridine);2,3,5,6-tetramethylpyrazine;tris(2,4,5,6-tetramethylpyrimidine)
CID 159315646
1,2,3,4,5,6-hexamethylbenzene;methane;bis(1,2,3,4,5,6,7,8-octamethylnaphthalene);1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene;tris(2,3,4,5,6-pentamethylpyridine);2,3,4,6-tetramethyl-5-(2,3,4,5,6-pentamethylphenyl)pyridine;bis(2,4,5,6-tetramethylpyrimidine)
CID 158125527
4-tert-butyl-2,5,6,7,8,9,10,11,12-nonamethylphenanthro[9,10-d]pyrimidine
CID 160837004
bis(2,4,5,6,7,8-hexamethyl-[1]benzofuro[2,3-d]pyrimidine);bis(2,4,6,7,8,9-hexamethyl-[1]benzofuro[3,2-d]pyrimidine);2,4,5,6,7,8-hexamethyl-[1]benzothiolo[2,3-d]pyrimidine
CID 158909042
1,2,3,4,5,6-hexamethylbenzene;bis(2,3,4,5,6-pentamethylpyridine);2,3,5,6-tetramethylpyrazine;bis(3,4,5,6-tetramethylpyridazine);2,4,5,6-tetramethylpyrimidine
CID 161209554
2,4,5,6-tetramethyl-7-phenylpyrrolo[3,4-d]pyrimidine
CID 21363956

Frequently Asked Questions

What is the IUPAC name of hexakis(2,4,5,6,7,8-hexamethylquinazoline);2,4,6-trimethyl-1,3,5-triazine?
The IUPAC name of hexakis(2,4,5,6,7,8-hexamethylquinazoline);2,4,6-trimethyl-1,3,5-triazine (CID 159474049) is hexakis(2,4,5,6,7,8-hexamethylquinazoline);2,4,6-trimethyl-1,3,5-triazine.
What is the SMILES notation for hexakis(2,4,5,6,7,8-hexamethylquinazoline);2,4,6-trimethyl-1,3,5-triazine?
The canonical SMILES for hexakis(2,4,5,6,7,8-hexamethylquinazoline);2,4,6-trimethyl-1,3,5-triazine is Cc1nc(C)c2c(C)c(C)c(C)c(C)c2n1.Cc1nc(C)c2c(C)c(C)c(C)c(C)c2n1.Cc1nc(C)c2c(C)c(C)c(C)c(C)c2n1.Cc1nc(C)c2c(C)c(C)c(C)c(C)c2n1.Cc1nc(C)c2c(C)c(C)c(C)c(C)c2n1.Cc1nc(C)c2c(C)c(C)c(C)c(C)c2n1.Cc1nc(C)nc(C)n1.
What is the InChIKey of hexakis(2,4,5,6,7,8-hexamethylquinazoline);2,4,6-trimethyl-1,3,5-triazine?
The InChIKey is LWDROSKFHMHSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/6C14H18N2.C6H9N3/c6*1-7-8(2)10(4)14-13(9(7)3)11(5)15-12(6)16-14;1-4-7-5(2)9-6(3)8-4/h6*1-6H3;1-3H3.
What are the key properties of hexakis(2,4,5,6,7,8-hexamethylquinazoline);2,4,6-trimethyl-1,3,5-triazine?
hexakis(2,4,5,6,7,8-hexamethylquinazoline);2,4,6-trimethyl-1,3,5-triazine has a molecular weight of 1409.03 g/mol, XLogP of 21.68, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(2,4,5,6,7,8-hexamethylquinazoline);2,4,6-trimethyl-1,3,5-triazine is sourced from PubChem (CID 159474049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).