bis(1,3-diphenylbenzene);ethane

C40H40 — CID 144938975

IUPACbis(1,3-diphenylbenzene);ethane
SMILESCC.CC.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/2C18H14.2C2H6/c2*1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;2*1-2/h2*1-14H;2*1-2H3
InChIKeyBBXMWQJWUZQPQA-UHFFFAOYSA-N
MW520.76 g/mol
LogP12.09
Rot. Bonds4

About bis(1,3-diphenylbenzene);ethane

bis(1,3-diphenylbenzene);ethane (PubChem CID 144938975) has the molecular formula C40H40 and a molecular weight of 520.76 g/mol. Its IUPAC name is bis(1,3-diphenylbenzene);ethane.

Molecular Properties

Compound Namebis(1,3-diphenylbenzene);ethane
PubChem CID144938975
Molecular FormulaC40H40
Molecular Weight520.76 g/mol
Exact Mass520.31
IUPAC Namebis(1,3-diphenylbenzene);ethane
SMILESCC.CC.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/2C18H14.2C2H6/c2*1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;2*1-2/h2*1-14H;2*1-2H3
InChIKeyBBXMWQJWUZQPQA-UHFFFAOYSA-N
XLogP12.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.76
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-diphenylbenzene;ethane;methane
CID 171489435
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
ethane;1,3,5-triphenylbenzene
CID 142123051
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
1,1'-biphenyl;1,3-diphenylbenzene;1,4-diphenylbenzene;ethane;toluene
CID 165006736
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
ethane;1-methyl-3-(3-phenylphenyl)benzene
CID 163289488
benzene;1,1'-biphenyl;ethane
CID 158550617
ethane;1-methyl-3-phenylbenzene
CID 142040878

Frequently Asked Questions

What is the IUPAC name of bis(1,3-diphenylbenzene);ethane?
The IUPAC name of bis(1,3-diphenylbenzene);ethane (CID 144938975) is bis(1,3-diphenylbenzene);ethane.
What is the SMILES notation for bis(1,3-diphenylbenzene);ethane?
The canonical SMILES for bis(1,3-diphenylbenzene);ethane is CC.CC.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of bis(1,3-diphenylbenzene);ethane?
The InChIKey is BBXMWQJWUZQPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H14.2C2H6/c2*1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;2*1-2/h2*1-14H;2*1-2H3.
What are the key properties of bis(1,3-diphenylbenzene);ethane?
bis(1,3-diphenylbenzene);ethane has a molecular weight of 520.76 g/mol, XLogP of 12.09, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3-diphenylbenzene);ethane is sourced from PubChem (CID 144938975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).