benzene;hexakis(2,2-dimethylpropane);ethane;naphthalene

C70H134 — CID 159135234

IUPACbenzene;hexakis(2,2-dimethylpropane);ethane;naphthalene
SMILESCC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C10H8.3C6H6.6C5H12.6C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;3*1-2-4-6-5-3-1;6*1-5(2,3)4;6*1-2/h1-8H;3*1-6H;6*1-4H3;6*1-2H3
InChIKeyKHKDWPHBGIRZGF-UHFFFAOYSA-N
MW975.84 g/mol
LogP26.37
Rot. Bonds

About benzene;hexakis(2,2-dimethylpropane);ethane;naphthalene

benzene;hexakis(2,2-dimethylpropane);ethane;naphthalene (PubChem CID 159135234) has the molecular formula C70H134 and a molecular weight of 975.84 g/mol. Its IUPAC name is benzene;hexakis(2,2-dimethylpropane);ethane;naphthalene.

Molecular Properties

Compound Namebenzene;hexakis(2,2-dimethylpropane);ethane;naphthalene
PubChem CID159135234
Molecular FormulaC70H134
Molecular Weight975.84 g/mol
Exact Mass975.05
IUPAC Namebenzene;hexakis(2,2-dimethylpropane);ethane;naphthalene
SMILESCC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C10H8.3C6H6.6C5H12.6C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;3*1-2-4-6-5-3-1;6*1-5(2,3)4;6*1-2/h1-8H;3*1-6H;6*1-4H3;6*1-2H3
InChIKeyKHKDWPHBGIRZGF-UHFFFAOYSA-N
XLogP26.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500975.84
LogP ≤ 526.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Benzo[a]pyrene
CID 2336
Pyrene
CID 31423
BENZ(a)ANTHRACENE
CID 5954
Benzo(ghi)perylene
CID 9117
Benzo(E)Pyrene
CID 9128
Chrysene
CID 9171
7,12-Dimethylbenz(a)anthracene
CID 6001
1-Methylpyrene
CID 16932
Dibenzo(a,l)pyrene
CID 9119
DIBENZ(a,h)ANTHRACENE
CID 5889
Fenbutatin oxide
CID 16683004
Dibenzo(a,i)pyrene
CID 9106

Frequently Asked Questions

What is the IUPAC name of benzene;hexakis(2,2-dimethylpropane);ethane;naphthalene?
The IUPAC name of benzene;hexakis(2,2-dimethylpropane);ethane;naphthalene (CID 159135234) is benzene;hexakis(2,2-dimethylpropane);ethane;naphthalene.
What is the SMILES notation for benzene;hexakis(2,2-dimethylpropane);ethane;naphthalene?
The canonical SMILES for benzene;hexakis(2,2-dimethylpropane);ethane;naphthalene is CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;hexakis(2,2-dimethylpropane);ethane;naphthalene?
The InChIKey is KHKDWPHBGIRZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.3C6H6.6C5H12.6C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;3*1-2-4-6-5-3-1;6*1-5(2,3)4;6*1-2/h1-8H;3*1-6H;6*1-4H3;6*1-2H3.
What are the key properties of benzene;hexakis(2,2-dimethylpropane);ethane;naphthalene?
benzene;hexakis(2,2-dimethylpropane);ethane;naphthalene has a molecular weight of 975.84 g/mol, XLogP of 26.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;hexakis(2,2-dimethylpropane);ethane;naphthalene is sourced from PubChem (CID 159135234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).