benzene;benzylbenzene;octakis(2,2-dimethylpropane);9,9-diphenylfluorene;ethane;naphthalene

C112H194 — CID 160693134

IUPACbenzene;benzylbenzene;octakis(2,2-dimethylpropane);9,9-diphenylfluorene;ethane;naphthalene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C25H18.C13H12.C10H8.C6H6.8C5H12.9C2H6/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1;8*1-5(2,3)4;9*1-2/h1-18H;1-10H,11H2;1-8H;1-6H;8*1-4H3;9*1-2H3
InChIKeyRPQWVJIZMXMGER-UHFFFAOYSA-N
MW1540.78 g/mol
LogP39.51
Rot. Bonds4

About benzene;benzylbenzene;octakis(2,2-dimethylpropane);9,9-diphenylfluorene;ethane;naphthalene

benzene;benzylbenzene;octakis(2,2-dimethylpropane);9,9-diphenylfluorene;ethane;naphthalene (PubChem CID 160693134) has the molecular formula C112H194 and a molecular weight of 1540.78 g/mol. Its IUPAC name is benzene;benzylbenzene;octakis(2,2-dimethylpropane);9,9-diphenylfluorene;ethane;naphthalene.

Molecular Properties

Compound Namebenzene;benzylbenzene;octakis(2,2-dimethylpropane);9,9-diphenylfluorene;ethane;naphthalene
PubChem CID160693134
Molecular FormulaC112H194
Molecular Weight1540.78 g/mol
Exact Mass1539.52
IUPAC Namebenzene;benzylbenzene;octakis(2,2-dimethylpropane);9,9-diphenylfluorene;ethane;naphthalene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C25H18.C13H12.C10H8.C6H6.8C5H12.9C2H6/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1;8*1-5(2,3)4;9*1-2/h1-18H;1-10H,11H2;1-8H;1-6H;8*1-4H3;9*1-2H3
InChIKeyRPQWVJIZMXMGER-UHFFFAOYSA-N
XLogP39.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001540.78
LogP ≤ 539.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
benzylbenzene;1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,1'-biphenyl;1,3-dibenzylbenzene;1,4-dibenzylbenzene;9,9-diphenylfluorene;ethane;2-phenylpropan-2-ylbenzene
CID 160849970
bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene);benzene;benzylbenzene;bis(1,1'-biphenyl);cyclohexane;bis(9,9-diphenylfluorene);ethane;methane;naphthalene;toluene
CID 160813264
9,9-diphenylfluorene;propane
CID 158205050
9,9-diphenylfluorene;methane
CID 145140147
ethane;naphthalene;9,9'-spirobi[fluorene]
CID 162036420
9,9-diphenylfluorene;methane
CID 145331804
9-[3-[(3-methylphenyl)methyl]phenyl]-9-phenylfluorene
CID 58233535
9,9-diphenylfluorene;methoxymethane
CID 143139467
9-(4-ethylphenyl)-9-phenylfluorene
CID 149284542
benzylbenzene;ethane;1-ethyl-2-[9-(1-ethylindol-2-yl)fluoren-9-yl]indole
CID 161404698
benzene;benzylbenzene;1,1'-biphenyl;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methoxymethane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;propan-2-one
CID 159226551

Frequently Asked Questions

What is the IUPAC name of benzene;benzylbenzene;octakis(2,2-dimethylpropane);9,9-diphenylfluorene;ethane;naphthalene?
The IUPAC name of benzene;benzylbenzene;octakis(2,2-dimethylpropane);9,9-diphenylfluorene;ethane;naphthalene (CID 160693134) is benzene;benzylbenzene;octakis(2,2-dimethylpropane);9,9-diphenylfluorene;ethane;naphthalene.
What is the SMILES notation for benzene;benzylbenzene;octakis(2,2-dimethylpropane);9,9-diphenylfluorene;ethane;naphthalene?
The canonical SMILES for benzene;benzylbenzene;octakis(2,2-dimethylpropane);9,9-diphenylfluorene;ethane;naphthalene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc2ccccc2c1.c1ccccc1.
What is the InChIKey of benzene;benzylbenzene;octakis(2,2-dimethylpropane);9,9-diphenylfluorene;ethane;naphthalene?
The InChIKey is RPQWVJIZMXMGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18.C13H12.C10H8.C6H6.8C5H12.9C2H6/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1;8*1-5(2,3)4;9*1-2/h1-18H;1-10H,11H2;1-8H;1-6H;8*1-4H3;9*1-2H3.
What are the key properties of benzene;benzylbenzene;octakis(2,2-dimethylpropane);9,9-diphenylfluorene;ethane;naphthalene?
benzene;benzylbenzene;octakis(2,2-dimethylpropane);9,9-diphenylfluorene;ethane;naphthalene has a molecular weight of 1540.78 g/mol, XLogP of 39.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;benzylbenzene;octakis(2,2-dimethylpropane);9,9-diphenylfluorene;ethane;naphthalene is sourced from PubChem (CID 160693134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).