anthracene;bis(1,1'-biphenyl);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;toluene

C113H148 — CID 161125240

IUPACanthracene;bis(1,1'-biphenyl);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1
InChIInChI=1S/C18H14.2C14H10.2C12H10.C10H8.C7H8.13C2H6/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;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;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;1-7-5-3-2-4-6-7;13*1-2/h1-14H;2*1-10H;2*1-10H;1-8H;2-6H,1H3;13*1-2H3
InChIKeyULLZSDXHNWHBSO-UHFFFAOYSA-N
MW1506.43 g/mol
LogP37.89
Rot. Bonds4

About anthracene;bis(1,1'-biphenyl);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;toluene

anthracene;bis(1,1'-biphenyl);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;toluene (PubChem CID 161125240) has the molecular formula C113H148 and a molecular weight of 1506.43 g/mol. Its IUPAC name is anthracene;bis(1,1'-biphenyl);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;toluene.

Molecular Properties

Compound Nameanthracene;bis(1,1'-biphenyl);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;toluene
PubChem CID161125240
Molecular FormulaC113H148
Molecular Weight1506.43 g/mol
Exact Mass1505.16
IUPAC Nameanthracene;bis(1,1'-biphenyl);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1
InChIInChI=1S/C18H14.2C14H10.2C12H10.C10H8.C7H8.13C2H6/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;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;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;1-7-5-3-2-4-6-7;13*1-2/h1-14H;2*1-10H;2*1-10H;1-8H;2-6H,1H3;13*1-2H3
InChIKeyULLZSDXHNWHBSO-UHFFFAOYSA-N
XLogP37.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001506.43
LogP ≤ 537.89
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;tris(1,1'-biphenyl);ethane;1-methylnaphthalene;phenanthrene;toluene
CID 161034460
anthracene;tris(1,1'-biphenyl);tert-butylbenzene;heptakis(2,2-dimethylpropane);ethane;naphthalene;phenanthrene;toluene
CID 163831786
1,1'-biphenyl;1,4-diphenylbenzene;ethane;naphthalene;phenanthrene
CID 158841778
anthracene;tris(1,1'-biphenyl);tert-butylbenzene;tris(2,2-dimethylbutane);tris(2,2-dimethylpropane);ethane;naphthalene;phenanthrene;toluene
CID 165055273
anthracene;benzene;ethane;methane;naphthalene;phenanthrene
CID 165100434
bis(1,1'-biphenyl);ethane;naphthalene;toluene
CID 159439473
phenanthrene;toluene
CID 158347700
2-methylanthracene;2-methylnaphthalene;1-methyl-4-phenylbenzene;toluene
CID 161098980
1,1'-biphenyl;naphthalene;phenanthrene
CID 157410235
ethane;3-(4-methylphenyl)phenanthrene
CID 142353065
ethane;naphthalene;propane;toluene
CID 91119516
ethane;naphthalene;propane;toluene
CID 159937735

Frequently Asked Questions

What is the IUPAC name of anthracene;bis(1,1'-biphenyl);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;toluene?
The IUPAC name of anthracene;bis(1,1'-biphenyl);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;toluene (CID 161125240) is anthracene;bis(1,1'-biphenyl);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;toluene.
What is the SMILES notation for anthracene;bis(1,1'-biphenyl);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;toluene?
The canonical SMILES for anthracene;bis(1,1'-biphenyl);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;toluene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.
What is the InChIKey of anthracene;bis(1,1'-biphenyl);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;toluene?
The InChIKey is ULLZSDXHNWHBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14.2C14H10.2C12H10.C10H8.C7H8.13C2H6/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;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;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;1-7-5-3-2-4-6-7;13*1-2/h1-14H;2*1-10H;2*1-10H;1-8H;2-6H,1H3;13*1-2H3.
What are the key properties of anthracene;bis(1,1'-biphenyl);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;toluene?
anthracene;bis(1,1'-biphenyl);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;toluene has a molecular weight of 1506.43 g/mol, XLogP of 37.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;bis(1,1'-biphenyl);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;toluene is sourced from PubChem (CID 161125240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).