benzene;bis(1,1'-biphenyl);methane

C92H94 — CID 158742993

IUPACbenzene;bis(1,1'-biphenyl);methane
SMILESC.C.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/2C12H10.11C6H6.2CH4/c2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;11*1-2-4-6-5-3-1;;/h2*1-10H;11*1-6H;2*1H4
InChIKeyIMNNZXKHSULVCC-UHFFFAOYSA-N
MW1199.76 g/mol
LogP26.53
Rot. Bonds2

About benzene;bis(1,1'-biphenyl);methane

benzene;bis(1,1'-biphenyl);methane (PubChem CID 158742993) has the molecular formula C92H94 and a molecular weight of 1199.76 g/mol. Its IUPAC name is benzene;bis(1,1'-biphenyl);methane.

Molecular Properties

Compound Namebenzene;bis(1,1'-biphenyl);methane
PubChem CID158742993
Molecular FormulaC92H94
Molecular Weight1199.76 g/mol
Exact Mass1198.74
IUPAC Namebenzene;bis(1,1'-biphenyl);methane
SMILESC.C.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/2C12H10.11C6H6.2CH4/c2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;11*1-2-4-6-5-3-1;;/h2*1-10H;11*1-6H;2*1H4
InChIKeyIMNNZXKHSULVCC-UHFFFAOYSA-N
XLogP26.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001199.76
LogP ≤ 526.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Fenbutatin oxide
CID 16683004
Triphenylethylene
CID 6025
7-Methylbenzo(a)pyrene
CID 44368
9,10-Diphenylanthracene
CID 15159
Rubrene
CID 68203
Benzene, 1,1',1'',1'''-(1,3-butadiene-1,4-diylidene)tetrakis-
CID 74060
Ovalene
CID 67446
Triphenylmethane
CID 10614
1,1,1-Triphenylethane
CID 78926
p-Quaterphenyl
CID 8677
Quaterphenyl
CID 14422
Tetraphenylethylene
CID 69437

Frequently Asked Questions

What is the IUPAC name of benzene;bis(1,1'-biphenyl);methane?
The IUPAC name of benzene;bis(1,1'-biphenyl);methane (CID 158742993) is benzene;bis(1,1'-biphenyl);methane.
What is the SMILES notation for benzene;bis(1,1'-biphenyl);methane?
The canonical SMILES for benzene;bis(1,1'-biphenyl);methane is C.C.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;bis(1,1'-biphenyl);methane?
The InChIKey is IMNNZXKHSULVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H10.11C6H6.2CH4/c2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;11*1-2-4-6-5-3-1;;/h2*1-10H;11*1-6H;2*1H4.
What are the key properties of benzene;bis(1,1'-biphenyl);methane?
benzene;bis(1,1'-biphenyl);methane has a molecular weight of 1199.76 g/mol, XLogP of 26.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;bis(1,1'-biphenyl);methane is sourced from PubChem (CID 158742993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).