anthracene;tris(1,1'-biphenyl);ethane;1-methylnaphthalene;phenanthrene;toluene

C140H184 — CID 161034460

IUPACanthracene;tris(1,1'-biphenyl);ethane;1-methylnaphthalene;phenanthrene;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/3C14H10.3C12H10.C11H10.3C7H8.15C2H6/c2*1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;3*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-9-5-4-7-10-6-2-3-8-11(9)10;3*1-7-5-3-2-4-6-7;15*1-2/h3*1-10H;3*1-10H;2-8H,1H3;3*2-6H,1H3;15*1-2H3
InChIKeyUABJTFIVYNLLEH-UHFFFAOYSA-N
MW1867.01 g/mol
LogP46.57
Rot. Bonds3

About anthracene;tris(1,1'-biphenyl);ethane;1-methylnaphthalene;phenanthrene;toluene

anthracene;tris(1,1'-biphenyl);ethane;1-methylnaphthalene;phenanthrene;toluene (PubChem CID 161034460) has the molecular formula C140H184 and a molecular weight of 1867.01 g/mol. Its IUPAC name is anthracene;tris(1,1'-biphenyl);ethane;1-methylnaphthalene;phenanthrene;toluene.

Molecular Properties

Compound Nameanthracene;tris(1,1'-biphenyl);ethane;1-methylnaphthalene;phenanthrene;toluene
PubChem CID161034460
Molecular FormulaC140H184
Molecular Weight1867.01 g/mol
Exact Mass1865.44
IUPAC Nameanthracene;tris(1,1'-biphenyl);ethane;1-methylnaphthalene;phenanthrene;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/3C14H10.3C12H10.C11H10.3C7H8.15C2H6/c2*1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;3*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-9-5-4-7-10-6-2-3-8-11(9)10;3*1-7-5-3-2-4-6-7;15*1-2/h3*1-10H;3*1-10H;2-8H,1H3;3*2-6H,1H3;15*1-2H3
InChIKeyUABJTFIVYNLLEH-UHFFFAOYSA-N
XLogP46.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms140
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001867.01
LogP ≤ 546.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

anthracene;bis(1,1'-biphenyl);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;toluene
CID 161125240
ethane;1-methylnaphthalene;toluene
CID 91013579
ethane;methane;bis(1-methylnaphthalene);propane;toluene
CID 160954543
anthracene;tris(1,1'-biphenyl);tert-butylbenzene;heptakis(2,2-dimethylpropane);ethane;naphthalene;phenanthrene;toluene
CID 163831786
ethane;1-methyl-3,5-diphenylbenzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-methyl-3-(3-phenylphenyl)benzene;toluene
CID 162048373
1,1'-biphenyl;1,4-diphenylbenzene;ethane;naphthalene;phenanthrene
CID 158841778
phenanthrene;toluene
CID 158347700
ethane;1-methyl-3,5-diphenylbenzene;1-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-methyl-3-(3-phenylphenyl)benzene;toluene
CID 159021382
1-methylnaphthalene;2-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)naphthalene;1-(4-methylphenyl)naphthalene;toluene
CID 158589771
2-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene
CID 158886123
2-methylanthracene;9-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;9-methylphenanthrene;toluene
CID 158097915
anthracene;tris(1,1'-biphenyl);tert-butylbenzene;tris(2,2-dimethylbutane);tris(2,2-dimethylpropane);ethane;naphthalene;phenanthrene;toluene
CID 165055273

Frequently Asked Questions

What is the IUPAC name of anthracene;tris(1,1'-biphenyl);ethane;1-methylnaphthalene;phenanthrene;toluene?
The IUPAC name of anthracene;tris(1,1'-biphenyl);ethane;1-methylnaphthalene;phenanthrene;toluene (CID 161034460) is anthracene;tris(1,1'-biphenyl);ethane;1-methylnaphthalene;phenanthrene;toluene.
What is the SMILES notation for anthracene;tris(1,1'-biphenyl);ethane;1-methylnaphthalene;phenanthrene;toluene?
The canonical SMILES for anthracene;tris(1,1'-biphenyl);ethane;1-methylnaphthalene;phenanthrene;toluene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracene;tris(1,1'-biphenyl);ethane;1-methylnaphthalene;phenanthrene;toluene?
The InChIKey is UABJTFIVYNLLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H10.3C12H10.C11H10.3C7H8.15C2H6/c2*1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;3*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-9-5-4-7-10-6-2-3-8-11(9)10;3*1-7-5-3-2-4-6-7;15*1-2/h3*1-10H;3*1-10H;2-8H,1H3;3*2-6H,1H3;15*1-2H3.
What are the key properties of anthracene;tris(1,1'-biphenyl);ethane;1-methylnaphthalene;phenanthrene;toluene?
anthracene;tris(1,1'-biphenyl);ethane;1-methylnaphthalene;phenanthrene;toluene has a molecular weight of 1867.01 g/mol, XLogP of 46.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;tris(1,1'-biphenyl);ethane;1-methylnaphthalene;phenanthrene;toluene is sourced from PubChem (CID 161034460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).