ethane;1,3,5-triphenylbenzene

C26H24 — CID 142123051

IUPACethane;1,3,5-triphenylbenzene
SMILESCC.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H18.C2H6/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21;1-2/h1-18H;1-2H3
InChIKeyKODNVAXWSQBXGB-UHFFFAOYSA-N
MW336.48 g/mol
LogP7.71
Rot. Bonds3

About ethane;1,3,5-triphenylbenzene

ethane;1,3,5-triphenylbenzene (PubChem CID 142123051) has the molecular formula C26H24 and a molecular weight of 336.48 g/mol. Its IUPAC name is ethane;1,3,5-triphenylbenzene.

Molecular Properties

Compound Nameethane;1,3,5-triphenylbenzene
PubChem CID142123051
Molecular FormulaC26H24
Molecular Weight336.48 g/mol
Exact Mass336.19
IUPAC Nameethane;1,3,5-triphenylbenzene
SMILESCC.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H18.C2H6/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21;1-2/h1-18H;1-2H3
InChIKeyKODNVAXWSQBXGB-UHFFFAOYSA-N
XLogP7.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;1,3,5-triphenylbenzene?
The IUPAC name of ethane;1,3,5-triphenylbenzene (CID 142123051) is ethane;1,3,5-triphenylbenzene.
What is the SMILES notation for ethane;1,3,5-triphenylbenzene?
The canonical SMILES for ethane;1,3,5-triphenylbenzene is CC.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1.
What is the InChIKey of ethane;1,3,5-triphenylbenzene?
The InChIKey is KODNVAXWSQBXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18.C2H6/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21;1-2/h1-18H;1-2H3.
What are the key properties of ethane;1,3,5-triphenylbenzene?
ethane;1,3,5-triphenylbenzene has a molecular weight of 336.48 g/mol, XLogP of 7.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3,5-triphenylbenzene is sourced from PubChem (CID 142123051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).