1,1'-biphenyl;1-(bromomethyl)-4-phenylbenzene

C25H21Br — CID 174560327

IUPAC1,1'-biphenyl;1-(bromomethyl)-4-phenylbenzene
SMILESBrCc1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H11Br.C12H10/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-9H,10H2;1-10H
InChIKeyYDSYNJLAEIOPFG-UHFFFAOYSA-N
MW401.35 g/mol
LogP7.60
Rot. Bonds3

About 1,1'-biphenyl;1-(bromomethyl)-4-phenylbenzene

1,1'-biphenyl;1-(bromomethyl)-4-phenylbenzene (PubChem CID 174560327) has the molecular formula C25H21Br and a molecular weight of 401.35 g/mol. Its IUPAC name is 1,1'-biphenyl;1-(bromomethyl)-4-phenylbenzene.

Molecular Properties

Compound Name1,1'-biphenyl;1-(bromomethyl)-4-phenylbenzene
PubChem CID174560327
Molecular FormulaC25H21Br
Molecular Weight401.35 g/mol
Exact Mass400.08
IUPAC Name1,1'-biphenyl;1-(bromomethyl)-4-phenylbenzene
SMILESBrCc1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H11Br.C12H10/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-9H,10H2;1-10H
InChIKeyYDSYNJLAEIOPFG-UHFFFAOYSA-N
XLogP7.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.35
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1,1'-biphenyl;bromomethylbenzene
CID 18398670
1-(bromomethyl)-4-phenylbenzene;methyl formate
CID 175072951
[4-[4-(bromomethyl)phenyl]phenyl]-phenylmethanone
CID 19742105
1-(bromomethyl)-4-(4-methylphenyl)benzene;methane
CID 157394028
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
ethane;1-ethyl-4-phenylbenzene;methane
CID 142852812
1-(bromomethyl)-4-ethylbenzene;ethylbenzene
CID 157176611
N-(bromomethyl)-1-(4-phenylphenyl)methanamine
CID 115261872
3-[4-(bromomethyl)phenyl]-5-phenyl-1,2,4-thiadiazole
CID 18731899
9-[4-(bromomethyl)phenyl]acridine
CID 10712694
1-(chloromethyl)-4-phenylbenzene
CID 15463

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;1-(bromomethyl)-4-phenylbenzene?
The IUPAC name of 1,1'-biphenyl;1-(bromomethyl)-4-phenylbenzene (CID 174560327) is 1,1'-biphenyl;1-(bromomethyl)-4-phenylbenzene.
What is the SMILES notation for 1,1'-biphenyl;1-(bromomethyl)-4-phenylbenzene?
The canonical SMILES for 1,1'-biphenyl;1-(bromomethyl)-4-phenylbenzene is BrCc1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;1-(bromomethyl)-4-phenylbenzene?
The InChIKey is YDSYNJLAEIOPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br.C12H10/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-9H,10H2;1-10H.
What are the key properties of 1,1'-biphenyl;1-(bromomethyl)-4-phenylbenzene?
1,1'-biphenyl;1-(bromomethyl)-4-phenylbenzene has a molecular weight of 401.35 g/mol, XLogP of 7.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;1-(bromomethyl)-4-phenylbenzene is sourced from PubChem (CID 174560327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).