anthracene;benzene;tetrakis(2,2-dimethylpropane);ethane;naphthalene;propane

C132H200 — CID 161162660

IUPACanthracene;benzene;tetrakis(2,2-dimethylpropane);ethane;naphthalene;propane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CCC.CCC.CCC.CCC.c1ccc2cc3ccccc3cc2c1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/2C14H10.2C10H8.6C6H6.4C5H12.4C3H8.8C2H6/c2*1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;2*1-2-6-10-8-4-3-7-9(10)5-1;6*1-2-4-6-5-3-1;4*1-5(2,3)4;4*1-3-2;8*1-2/h2*1-10H;2*1-8H;6*1-6H;4*1-4H3;4*3H2,1-2H3;8*1-2H3
InChIKeyUQCVFWUBMJPOGF-UHFFFAOYSA-N
MW1787.05 g/mol
LogP45.87
Rot. Bonds

About anthracene;benzene;tetrakis(2,2-dimethylpropane);ethane;naphthalene;propane

anthracene;benzene;tetrakis(2,2-dimethylpropane);ethane;naphthalene;propane (PubChem CID 161162660) has the molecular formula C132H200 and a molecular weight of 1787.05 g/mol. Its IUPAC name is anthracene;benzene;tetrakis(2,2-dimethylpropane);ethane;naphthalene;propane.

Molecular Properties

Compound Nameanthracene;benzene;tetrakis(2,2-dimethylpropane);ethane;naphthalene;propane
PubChem CID161162660
Molecular FormulaC132H200
Molecular Weight1787.05 g/mol
Exact Mass1785.57
IUPAC Nameanthracene;benzene;tetrakis(2,2-dimethylpropane);ethane;naphthalene;propane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CCC.CCC.CCC.CCC.c1ccc2cc3ccccc3cc2c1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/2C14H10.2C10H8.6C6H6.4C5H12.4C3H8.8C2H6/c2*1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;2*1-2-6-10-8-4-3-7-9(10)5-1;6*1-2-4-6-5-3-1;4*1-5(2,3)4;4*1-3-2;8*1-2/h2*1-10H;2*1-8H;6*1-6H;4*1-4H3;4*3H2,1-2H3;8*1-2H3
InChIKeyUQCVFWUBMJPOGF-UHFFFAOYSA-N
XLogP45.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001787.05
LogP ≤ 545.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

benzene;hexakis(2,2-dimethylpropane);ethane;naphthalene
CID 159135234
benzene;tetrakis(2,2-dimethylpropane);ethane;naphthalene
CID 163997399
anthracene;ethane;naphthalene
CID 159079166
ethane;naphthalene;propane
CID 158972865
anthracene;benzene;ethane;octakis(2-methylpropane);naphthalene;bis(2-phenylpropan-2-ylbenzene);propane
CID 161240969
2,2-dimethylpropane;naphthalene
CID 91188461
anthracene;benzene;naphthalene
CID 142706236
benzene;methanol;naphthalene;propane
CID 159585555
anthracene;benzene;ethane;methane;naphthalene;phenanthrene
CID 165100434
anthracene;benzene;bis(1,1'-biphenyl);ethane;decakis(2-methylpropane);naphthalene;bis(2-phenylpropan-2-ylbenzene);propane
CID 161277022
ethane;naphthalene-2-carboxylic acid;propane
CID 143443534
ethane;pentacene
CID 91470616

Frequently Asked Questions

What is the IUPAC name of anthracene;benzene;tetrakis(2,2-dimethylpropane);ethane;naphthalene;propane?
The IUPAC name of anthracene;benzene;tetrakis(2,2-dimethylpropane);ethane;naphthalene;propane (CID 161162660) is anthracene;benzene;tetrakis(2,2-dimethylpropane);ethane;naphthalene;propane.
What is the SMILES notation for anthracene;benzene;tetrakis(2,2-dimethylpropane);ethane;naphthalene;propane?
The canonical SMILES for anthracene;benzene;tetrakis(2,2-dimethylpropane);ethane;naphthalene;propane is CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CCC.CCC.CCC.CCC.c1ccc2cc3ccccc3cc2c1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of anthracene;benzene;tetrakis(2,2-dimethylpropane);ethane;naphthalene;propane?
The InChIKey is UQCVFWUBMJPOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H10.2C10H8.6C6H6.4C5H12.4C3H8.8C2H6/c2*1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;2*1-2-6-10-8-4-3-7-9(10)5-1;6*1-2-4-6-5-3-1;4*1-5(2,3)4;4*1-3-2;8*1-2/h2*1-10H;2*1-8H;6*1-6H;4*1-4H3;4*3H2,1-2H3;8*1-2H3.
What are the key properties of anthracene;benzene;tetrakis(2,2-dimethylpropane);ethane;naphthalene;propane?
anthracene;benzene;tetrakis(2,2-dimethylpropane);ethane;naphthalene;propane has a molecular weight of 1787.05 g/mol, XLogP of 45.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;benzene;tetrakis(2,2-dimethylpropane);ethane;naphthalene;propane is sourced from PubChem (CID 161162660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).