2,5-dimethylfuran;2,7-dimethylphenanthrene;bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine

C90H147N15OS — CID 157089018

IUPAC2,5-dimethylfuran;2,7-dimethylphenanthrene;bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc(C)ncn1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc2c(ccc3cc(C)ccc32)c1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1cnc(C)cn1.Cc1cnc(C)cn1.Cc1cncc(C)n1.Cc1nc(C)nc(C)n1
InChIInChI=1S/C16H14.C6H9N3.6C6H8N2.C6H8O.C6H8S.10C2H6/c1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15;1-4-7-5(2)9-6(3)8-4;2*1-5-3-8-6(2)4-7-5;1-5-3-7-4-6(2)8-5;1-5-3-6(2)8-4-7-5;2*1-5-3-4-7-6(2)8-5;2*1-5-3-4-6(2)7-5;10*1-2/h3-10H,1-2H3;1-3H3;6*3-4H,1-2H3;2*3-4H,1-2H3;10*1-2H3
InChIKeyAEKZDDYGLITOLZ-UHFFFAOYSA-N
MW1487.34 g/mol
LogP26.49
Rot. Bonds

About 2,5-dimethylfuran;2,7-dimethylphenanthrene;bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine

2,5-dimethylfuran;2,7-dimethylphenanthrene;bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine (PubChem CID 157089018) has the molecular formula C90H147N15OS and a molecular weight of 1487.34 g/mol. Its IUPAC name is 2,5-dimethylfuran;2,7-dimethylphenanthrene;bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine.

Molecular Properties

Compound Name2,5-dimethylfuran;2,7-dimethylphenanthrene;bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine
PubChem CID157089018
Molecular FormulaC90H147N15OS
Molecular Weight1487.34 g/mol
Exact Mass1486.16
IUPAC Name2,5-dimethylfuran;2,7-dimethylphenanthrene;bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc(C)ncn1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc2c(ccc3cc(C)ccc32)c1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1cnc(C)cn1.Cc1cnc(C)cn1.Cc1cncc(C)n1.Cc1nc(C)nc(C)n1
InChIInChI=1S/C16H14.C6H9N3.6C6H8N2.C6H8O.C6H8S.10C2H6/c1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15;1-4-7-5(2)9-6(3)8-4;2*1-5-3-8-6(2)4-7-5;1-5-3-7-4-6(2)8-5;1-5-3-6(2)8-4-7-5;2*1-5-3-4-7-6(2)8-5;2*1-5-3-4-6(2)7-5;10*1-2/h3-10H,1-2H3;1-3H3;6*3-4H,1-2H3;2*3-4H,1-2H3;10*1-2H3
InChIKeyAEKZDDYGLITOLZ-UHFFFAOYSA-N
XLogP26.49
TPSA206.49 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001487.34
LogP ≤ 526.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,5-dimethylfuran;2,7-dimethylphenanthrene;bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine with MolForge

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Related Compounds

2,5-Dimethylfuran;2,3-dimethylpyrazine;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,4-dimethylpyridazine;3,5-dimethylpyridazine;3,6-dimethylpyridazine;4,5-dimethylpyridazine;2,4-dimethylpyrimidine;2,5-dimethylpyrimidine;4,5-dimethylpyrimidine;4,6-dimethylpyrimidine;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;2,5-dimethyl-1-(trifluoromethyl)pyrrole;2,3,4,5,6-pentamethylpyridine;2,3,5,6-tetramethylpyrazine;3,4,5,6-tetramethylpyridazine;2,3,4,5-tetramethylpyridine;2,4,5,6-tetramethylpyrimidine;2,3,5-trimethylpyrazine;3,4,5-trimethylpyridazine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyrimidine;2,4,6-trimethylpyrimidine;2,4,6-trimethyl-1,3,5-triazine
CID 158067061
2-Dibenzofuran-4-yl-5-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyrimidine
CID 118477913
5-[6-(6-Dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine
CID 118477915
5-[5-(6-Dibenzofuran-4-yl-3-pyridinyl)naphthalen-1-yl]-2-dibenzothiophen-4-ylpyrimidine
CID 118477967
5-[6-(6-Dibenzofuran-4-yl-3-pyridinyl)naphthalen-1-yl]-2-dibenzothiophen-4-ylpyrimidine
CID 118477997
4-(4-Dibenzofuran-2-ylphenyl)-6-(4-dibenzothiophen-3-ylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine
CID 130262335
4-(4-Dibenzofuran-3-ylphenyl)-6-(4-dibenzothiophen-2-ylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine
CID 130262873
4-(4-Dibenzofuran-3-ylphenyl)-6-dibenzothiophen-2-yl-2-(2-pyridin-3-ylphenyl)pyrimidine
CID 130263546
4-(6-Dibenzofuran-4-yl-2-pyridinyl)-2,8-dipyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 134399095
5-[6-(6-Dibenzofuran-4-yl-3-pyridinyl)naphthalen-1-yl]-2-(8,9-dihydrodibenzothiophen-4-yl)pyrimidine
CID 137383712
2-Naphthalen-2-yl-4-(6-phenyldibenzofuran-3-yl)-6-[7-(2-pyrazin-2-ylphenyl)dibenzothiophen-2-yl]-1,3,5-triazine
CID 138519465
2-Naphthalen-2-yl-4-(6-phenyldibenzofuran-4-yl)-6-[7-(2-pyrazin-2-ylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 138519815

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylfuran;2,7-dimethylphenanthrene;bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine?
The IUPAC name of 2,5-dimethylfuran;2,7-dimethylphenanthrene;bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine (CID 157089018) is 2,5-dimethylfuran;2,7-dimethylphenanthrene;bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine.
What is the SMILES notation for 2,5-dimethylfuran;2,7-dimethylphenanthrene;bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine?
The canonical SMILES for 2,5-dimethylfuran;2,7-dimethylphenanthrene;bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc(C)ncn1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc2c(ccc3cc(C)ccc32)c1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1cnc(C)cn1.Cc1cnc(C)cn1.Cc1cncc(C)n1.Cc1nc(C)nc(C)n1.
What is the InChIKey of 2,5-dimethylfuran;2,7-dimethylphenanthrene;bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine?
The InChIKey is AEKZDDYGLITOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14.C6H9N3.6C6H8N2.C6H8O.C6H8S.10C2H6/c1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15;1-4-7-5(2)9-6(3)8-4;2*1-5-3-8-6(2)4-7-5;1-5-3-7-4-6(2)8-5;1-5-3-6(2)8-4-7-5;2*1-5-3-4-7-6(2)8-5;2*1-5-3-4-6(2)7-5;10*1-2/h3-10H,1-2H3;1-3H3;6*3-4H,1-2H3;2*3-4H,1-2H3;10*1-2H3.
What are the key properties of 2,5-dimethylfuran;2,7-dimethylphenanthrene;bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine?
2,5-dimethylfuran;2,7-dimethylphenanthrene;bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine has a molecular weight of 1487.34 g/mol, XLogP of 26.49, 0 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylfuran;2,7-dimethylphenanthrene;bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine is sourced from PubChem (CID 157089018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).