benzene;ethane;methane;hexakis(2-methylpropane);pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine

C63H126N10 — CID 158402451

IUPACbenzene;ethane;methane;hexakis(2-methylpropane);pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine
SMILESC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1ccccc1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.c1ncncn1
InChIInChI=1S/C6H6.C5H5N.3C4H4N2.6C4H10.C3H3N3.6C2H6.CH4/c2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;6*1-4(2)3;1-4-2-6-3-5-1;6*1-2;/h1-6H;1-5H;3*1-4H;6*4H,1-3H3;1-3H;6*1-2H3;1H4
InChIKeyGYGQYQWEOLTWFW-UHFFFAOYSA-N
MW1023.77 g/mol
LogP20.84
Rot. Bonds

About benzene;ethane;methane;hexakis(2-methylpropane);pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine

benzene;ethane;methane;hexakis(2-methylpropane);pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine (PubChem CID 158402451) has the molecular formula C63H126N10 and a molecular weight of 1023.77 g/mol. Its IUPAC name is benzene;ethane;methane;hexakis(2-methylpropane);pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine.

Molecular Properties

Compound Namebenzene;ethane;methane;hexakis(2-methylpropane);pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine
PubChem CID158402451
Molecular FormulaC63H126N10
Molecular Weight1023.77 g/mol
Exact Mass1023.02
IUPAC Namebenzene;ethane;methane;hexakis(2-methylpropane);pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine
SMILESC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1ccccc1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.c1ncncn1
InChIInChI=1S/C6H6.C5H5N.3C4H4N2.6C4H10.C3H3N3.6C2H6.CH4/c2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;6*1-4(2)3;1-4-2-6-3-5-1;6*1-2;/h1-6H;1-5H;3*1-4H;6*4H,1-3H3;1-3H;6*1-2H3;1H4
InChIKeyGYGQYQWEOLTWFW-UHFFFAOYSA-N
XLogP20.84
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001023.77
LogP ≤ 520.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

ethane;pyrazine;pyridazine;pyridine;pyrimidine
CID 159887592
ethane;methane;tetrakis(2-methylpropane);pyridine;pyrimidine
CID 158907010
tetrakis(2-methylpropane);pyrazine;bis(pyridine);pyrimidine
CID 169425697
benzene;pyrazine;pyridazine;pyrimidine
CID 165080734
decakis(2-methylpropane);pyrazine;pyridazine;pyridine;pyrimidine;thiophene
CID 158595506
benzene;ethane;methane;pyridine;pyrimidine
CID 158253499
ethane;pyrazine;hexakis(pyridine);tris(pyrimidine)
CID 158901508
tetrakis(2,2-dimethylpropane);pyrazine;pyridazine;pyridine;pyrimidine
CID 158173067
benzene;cyclohexane;ethane;pyrazine;pyridazine;tris(pyridine);bis(pyrimidine);bis(1,2,4-triazine);1,3,5-triazine
CID 160967771
ethane;bis(2-methylpropane);bis(pyridine)
CID 161330339
benzene;ethane;methane;naphthalene;pyrazine;pyridazine;tris(pyridine);bis(pyrimidine);bis(1,2,4-triazine);1,3,5-triazine
CID 158785660
ethane;2-methylpropane;pyridazine
CID 91351771

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;methane;hexakis(2-methylpropane);pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine?
The IUPAC name of benzene;ethane;methane;hexakis(2-methylpropane);pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine (CID 158402451) is benzene;ethane;methane;hexakis(2-methylpropane);pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine.
What is the SMILES notation for benzene;ethane;methane;hexakis(2-methylpropane);pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine?
The canonical SMILES for benzene;ethane;methane;hexakis(2-methylpropane);pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine is C.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1ccccc1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.c1ncncn1.
What is the InChIKey of benzene;ethane;methane;hexakis(2-methylpropane);pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine?
The InChIKey is GYGQYQWEOLTWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C5H5N.3C4H4N2.6C4H10.C3H3N3.6C2H6.CH4/c2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;6*1-4(2)3;1-4-2-6-3-5-1;6*1-2;/h1-6H;1-5H;3*1-4H;6*4H,1-3H3;1-3H;6*1-2H3;1H4.
What are the key properties of benzene;ethane;methane;hexakis(2-methylpropane);pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine?
benzene;ethane;methane;hexakis(2-methylpropane);pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine has a molecular weight of 1023.77 g/mol, XLogP of 20.84, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;methane;hexakis(2-methylpropane);pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine is sourced from PubChem (CID 158402451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).