anthracene;benzene;bis(1,1'-biphenyl);ethane;decakis(2-methylpropane);naphthalene;bis(2-phenylpropan-2-ylbenzene);propane

C322H494 — CID 161277022

IUPACanthracene;benzene;bis(1,1'-biphenyl);ethane;decakis(2-methylpropane);naphthalene;bis(2-phenylpropan-2-ylbenzene);propane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(c1ccccc1)c1ccccc1.CC(C)(c1ccccc1)c1ccccc1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/2C15H16.C14H10.2C12H10.6C10H8.14C6H6.10C4H10.10C3H8.20C2H6/c2*1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;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;6*1-2-6-10-8-4-3-7-9(10)5-1;14*1-2-4-6-5-3-1;10*1-4(2)3;10*1-3-2;20*1-2/h2*3-12H,1-2H3;1-10H;2*1-10H;6*1-8H;14*1-6H;10*4H,1-3H3;10*3H2,1-2H3;20*1-2H3
InChIKeyVEOLXRRCASKJIA-UHFFFAOYSA-N
MW4365.49 g/mol
LogP110.69
Rot. Bonds6

About anthracene;benzene;bis(1,1'-biphenyl);ethane;decakis(2-methylpropane);naphthalene;bis(2-phenylpropan-2-ylbenzene);propane

anthracene;benzene;bis(1,1'-biphenyl);ethane;decakis(2-methylpropane);naphthalene;bis(2-phenylpropan-2-ylbenzene);propane (PubChem CID 161277022) has the molecular formula C322H494 and a molecular weight of 4365.49 g/mol. Its IUPAC name is anthracene;benzene;bis(1,1'-biphenyl);ethane;decakis(2-methylpropane);naphthalene;bis(2-phenylpropan-2-ylbenzene);propane.

Molecular Properties

Compound Nameanthracene;benzene;bis(1,1'-biphenyl);ethane;decakis(2-methylpropane);naphthalene;bis(2-phenylpropan-2-ylbenzene);propane
PubChem CID161277022
Molecular FormulaC322H494
Molecular Weight4365.49 g/mol
Exact Mass4361.87
IUPAC Nameanthracene;benzene;bis(1,1'-biphenyl);ethane;decakis(2-methylpropane);naphthalene;bis(2-phenylpropan-2-ylbenzene);propane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(c1ccccc1)c1ccccc1.CC(C)(c1ccccc1)c1ccccc1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/2C15H16.C14H10.2C12H10.6C10H8.14C6H6.10C4H10.10C3H8.20C2H6/c2*1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;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;6*1-2-6-10-8-4-3-7-9(10)5-1;14*1-2-4-6-5-3-1;10*1-4(2)3;10*1-3-2;20*1-2/h2*3-12H,1-2H3;1-10H;2*1-10H;6*1-8H;14*1-6H;10*4H,1-3H3;10*3H2,1-2H3;20*1-2H3
InChIKeyVEOLXRRCASKJIA-UHFFFAOYSA-N
XLogP110.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms322
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004365.49
LogP ≤ 5110.69
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

anthracene;benzene;ethane;octakis(2-methylpropane);naphthalene;bis(2-phenylpropan-2-ylbenzene);propane
CID 161240969
benzene;bis(1,1'-biphenyl);ethane;octakis(2-methylpropane);naphthalene;propane
CID 158347647
anthracene;benzene;tetrakis(2,2-dimethylpropane);ethane;naphthalene;propane
CID 161162660
anthracene;tris(1,1'-biphenyl);tert-butylbenzene;heptakis(2,2-dimethylpropane);ethane;naphthalene;phenanthrene;toluene
CID 163831786
anthracene;tris(1,1'-biphenyl);tert-butylbenzene;tris(2,2-dimethylbutane);tris(2,2-dimethylpropane);ethane;naphthalene;phenanthrene;toluene
CID 165055273
anthracene;2-methylpropane
CID 142471530
benzene;ethane;bis(2-methylpropane);naphthalene
CID 159562136
2-phenylpropan-2-ylbenzene
CID 13065
1,1'-biphenyl;ethane;naphthalene
CID 160802649
benzene;1,1'-biphenyl;ethane;methane;naphthalene
CID 159154953
ethane;naphthalene;propane
CID 158972865
anthracene;ethane;naphthalene
CID 159079166

Frequently Asked Questions

What is the IUPAC name of anthracene;benzene;bis(1,1'-biphenyl);ethane;decakis(2-methylpropane);naphthalene;bis(2-phenylpropan-2-ylbenzene);propane?
The IUPAC name of anthracene;benzene;bis(1,1'-biphenyl);ethane;decakis(2-methylpropane);naphthalene;bis(2-phenylpropan-2-ylbenzene);propane (CID 161277022) is anthracene;benzene;bis(1,1'-biphenyl);ethane;decakis(2-methylpropane);naphthalene;bis(2-phenylpropan-2-ylbenzene);propane.
What is the SMILES notation for anthracene;benzene;bis(1,1'-biphenyl);ethane;decakis(2-methylpropane);naphthalene;bis(2-phenylpropan-2-ylbenzene);propane?
The canonical SMILES for anthracene;benzene;bis(1,1'-biphenyl);ethane;decakis(2-methylpropane);naphthalene;bis(2-phenylpropan-2-ylbenzene);propane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(c1ccccc1)c1ccccc1.CC(C)(c1ccccc1)c1ccccc1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of anthracene;benzene;bis(1,1'-biphenyl);ethane;decakis(2-methylpropane);naphthalene;bis(2-phenylpropan-2-ylbenzene);propane?
The InChIKey is VEOLXRRCASKJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H16.C14H10.2C12H10.6C10H8.14C6H6.10C4H10.10C3H8.20C2H6/c2*1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;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;6*1-2-6-10-8-4-3-7-9(10)5-1;14*1-2-4-6-5-3-1;10*1-4(2)3;10*1-3-2;20*1-2/h2*3-12H,1-2H3;1-10H;2*1-10H;6*1-8H;14*1-6H;10*4H,1-3H3;10*3H2,1-2H3;20*1-2H3.
What are the key properties of anthracene;benzene;bis(1,1'-biphenyl);ethane;decakis(2-methylpropane);naphthalene;bis(2-phenylpropan-2-ylbenzene);propane?
anthracene;benzene;bis(1,1'-biphenyl);ethane;decakis(2-methylpropane);naphthalene;bis(2-phenylpropan-2-ylbenzene);propane has a molecular weight of 4365.49 g/mol, XLogP of 110.69, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;benzene;bis(1,1'-biphenyl);ethane;decakis(2-methylpropane);naphthalene;bis(2-phenylpropan-2-ylbenzene);propane is sourced from PubChem (CID 161277022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).