benzene;tris(1,1'-biphenyl)

C42H36 — CID 162155747

IUPACbenzene;tris(1,1'-biphenyl)
SMILESc1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccccc1
InChIInChI=1S/3C12H10.C6H6/c3*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-6-5-3-1/h3*1-10H;1-6H
InChIKeyZLULLZHIMLPPBD-UHFFFAOYSA-N
MW540.75 g/mol
LogP11.75
Rot. Bonds3

About benzene;tris(1,1'-biphenyl)

benzene;tris(1,1'-biphenyl) (PubChem CID 162155747) has the molecular formula C42H36 and a molecular weight of 540.75 g/mol. Its IUPAC name is benzene;tris(1,1'-biphenyl).

Molecular Properties

Compound Namebenzene;tris(1,1'-biphenyl)
PubChem CID162155747
Molecular FormulaC42H36
Molecular Weight540.75 g/mol
Exact Mass540.28
IUPAC Namebenzene;tris(1,1'-biphenyl)
SMILESc1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccccc1
InChIInChI=1S/3C12H10.C6H6/c3*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-6-5-3-1/h3*1-10H;1-6H
InChIKeyZLULLZHIMLPPBD-UHFFFAOYSA-N
XLogP11.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.75
LogP ≤ 511.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 53446764
CID 53446764
1,1'-biphenyl;hydrofluoride
CID 67516975
1,1'-biphenyl;mercury
CID 67099988
bis(1,1'-biphenyl);sulfane
CID 22247507
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
1,1'-biphenyl;indigane
CID 174363765
benzene;bis(1,1'-biphenyl);methane
CID 158742993
1,1'-biphenyl;hydroiodide
CID 66586334
CID 162140615
CID 162140615
beryllium;1,1'-biphenyl;hydride
CID 173156439
benzene;1,1'-biphenyl;ethane
CID 158550617
1,1'-biphenyl;molecular hydrogen
CID 173033571

Frequently Asked Questions

What is the IUPAC name of benzene;tris(1,1'-biphenyl)?
The IUPAC name of benzene;tris(1,1'-biphenyl) (CID 162155747) is benzene;tris(1,1'-biphenyl).
What is the SMILES notation for benzene;tris(1,1'-biphenyl)?
The canonical SMILES for benzene;tris(1,1'-biphenyl) is c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccccc1.
What is the InChIKey of benzene;tris(1,1'-biphenyl)?
The InChIKey is ZLULLZHIMLPPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H10.C6H6/c3*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-6-5-3-1/h3*1-10H;1-6H.
What are the key properties of benzene;tris(1,1'-biphenyl)?
benzene;tris(1,1'-biphenyl) has a molecular weight of 540.75 g/mol, XLogP of 11.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;tris(1,1'-biphenyl) is sourced from PubChem (CID 162155747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).