anthracene;decakis(1,1'-biphenyl);1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;ethane;methane;tris(2-methylpropane);phenanthrene;pyrene

C240H348 — CID 158467088

IUPACanthracene;decakis(1,1'-biphenyl);1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;ethane;methane;tris(2-methylpropane);phenanthrene;pyrene
SMILESC.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC1(C)CCC1.CC1(C)CCCCC1.c1cc2ccc3cccc4ccc(c1)c2c34.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C16H10.2C14H10.10C12H10.C8H16.C6H12.3C4H10.20C2H6.10CH4/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;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;10*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-8(2)6-4-3-5-7-8;1-6(2)4-3-5-6;3*1-4(2)3;20*1-2;;;;;;;;;;/h1-10H;2*1-10H;10*1-10H;3-7H2,1-2H3;3-5H2,1-2H3;3*4H,1-3H3;20*1-2H3;10*1H4
InChIKeyHFWSGOVESDJPAQ-UHFFFAOYSA-N
MW3233.42 g/mol
LogP83.15
Rot. Bonds10

About anthracene;decakis(1,1'-biphenyl);1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;ethane;methane;tris(2-methylpropane);phenanthrene;pyrene

anthracene;decakis(1,1'-biphenyl);1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;ethane;methane;tris(2-methylpropane);phenanthrene;pyrene (PubChem CID 158467088) has the molecular formula C240H348 and a molecular weight of 3233.42 g/mol. Its IUPAC name is anthracene;decakis(1,1'-biphenyl);1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;ethane;methane;tris(2-methylpropane);phenanthrene;pyrene.

Molecular Properties

Compound Nameanthracene;decakis(1,1'-biphenyl);1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;ethane;methane;tris(2-methylpropane);phenanthrene;pyrene
PubChem CID158467088
Molecular FormulaC240H348
Molecular Weight3233.42 g/mol
Exact Mass3230.72
IUPAC Nameanthracene;decakis(1,1'-biphenyl);1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;ethane;methane;tris(2-methylpropane);phenanthrene;pyrene
SMILESC.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC1(C)CCC1.CC1(C)CCCCC1.c1cc2ccc3cccc4ccc(c1)c2c34.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C16H10.2C14H10.10C12H10.C8H16.C6H12.3C4H10.20C2H6.10CH4/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;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;10*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-8(2)6-4-3-5-7-8;1-6(2)4-3-5-6;3*1-4(2)3;20*1-2;;;;;;;;;;/h1-10H;2*1-10H;10*1-10H;3-7H2,1-2H3;3-5H2,1-2H3;3*4H,1-3H3;20*1-2H3;10*1H4
InChIKeyHFWSGOVESDJPAQ-UHFFFAOYSA-N
XLogP83.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms240
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003233.42
LogP ≤ 583.15
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'}

Analyze anthracene;decakis(1,1'-biphenyl);1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;ethane;methane;tris(2-methylpropane);phenanthrene;pyrene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pentadecakis(1,1'-biphenyl);ethane;methane;tetrakis(2-methylpropane);phenanthrene;bis(propan-2-ylcyclobutane);bis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);pyrene
CID 158291922
benzene;benzo[a]pyrene;coronene;cyclohexane;4,5-dimethylphenanthrene;ethane;hexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene;methane;pentadecakis(2-methylpropane);naphthalene;pyrene
CID 161453125
anthracene;benzene;ethane;methane;naphthalene;phenanthrene
CID 165100434
anthracene;benzene;9,10-dimethylanthracene;ethane;naphthalene;phenanthrene;pyrene
CID 159428909
benzene;1,4-diphenylbenzene;naphthalene;phenanthrene;pyrene;triphenylene
CID 174918554
anthracene;benzene;1,1'-biphenyl;chrysene;9,9-dimethylfluorene;(2,2-dimethylpropane);1,4-diphenylbenzene;methane;naphthalene;phenanthrene;1-phenyl-4-(4-phenylphenyl)benzene;pyrene
CID 159148400
anthracene;benzene;ethane;naphthalene;pyrene
CID 159655599
anthracene;bis(1,1'-biphenyl);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;toluene
CID 161125240
anthracene;chrysene;9,10-diphenylanthracene;naphthalene;pyrene
CID 174820118
chrysene;icosakis(2-methylpropane);perylene;phenanthrene;pyrene;triphenylene
CID 162052721
benzene;ethane;methane;naphthalene;perylene;phenanthrene
CID 158942771
1,1'-biphenyl;1,4-diphenylbenzene;ethane;naphthalene;phenanthrene
CID 158841778

Frequently Asked Questions

What is the IUPAC name of anthracene;decakis(1,1'-biphenyl);1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;ethane;methane;tris(2-methylpropane);phenanthrene;pyrene?
The IUPAC name of anthracene;decakis(1,1'-biphenyl);1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;ethane;methane;tris(2-methylpropane);phenanthrene;pyrene (CID 158467088) is anthracene;decakis(1,1'-biphenyl);1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;ethane;methane;tris(2-methylpropane);phenanthrene;pyrene.
What is the SMILES notation for anthracene;decakis(1,1'-biphenyl);1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;ethane;methane;tris(2-methylpropane);phenanthrene;pyrene?
The canonical SMILES for anthracene;decakis(1,1'-biphenyl);1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;ethane;methane;tris(2-methylpropane);phenanthrene;pyrene is C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC1(C)CCC1.CC1(C)CCCCC1.c1cc2ccc3cccc4ccc(c1)c2c34.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracene;decakis(1,1'-biphenyl);1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;ethane;methane;tris(2-methylpropane);phenanthrene;pyrene?
The InChIKey is HFWSGOVESDJPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10.2C14H10.10C12H10.C8H16.C6H12.3C4H10.20C2H6.10CH4/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;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;10*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-8(2)6-4-3-5-7-8;1-6(2)4-3-5-6;3*1-4(2)3;20*1-2;;;;;;;;;;/h1-10H;2*1-10H;10*1-10H;3-7H2,1-2H3;3-5H2,1-2H3;3*4H,1-3H3;20*1-2H3;10*1H4.
What are the key properties of anthracene;decakis(1,1'-biphenyl);1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;ethane;methane;tris(2-methylpropane);phenanthrene;pyrene?
anthracene;decakis(1,1'-biphenyl);1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;ethane;methane;tris(2-methylpropane);phenanthrene;pyrene has a molecular weight of 3233.42 g/mol, XLogP of 83.15, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;decakis(1,1'-biphenyl);1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;ethane;methane;tris(2-methylpropane);phenanthrene;pyrene is sourced from PubChem (CID 158467088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).