1,1'-biphenyl;1-tert-butyl-4-ethylbenzene

C24H28 — CID 142597809

IUPAC1,1'-biphenyl;1-tert-butyl-4-ethylbenzene
SMILESCCc1ccc(C(C)(C)C)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C12H18/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-5-10-6-8-11(9-7-10)12(2,3)4/h1-10H;6-9H,5H2,1-4H3
InChIKeyAYCSREVWYVXCBZ-UHFFFAOYSA-N
MW316.49 g/mol
LogP6.90
Rot. Bonds2

About 1,1'-biphenyl;1-tert-butyl-4-ethylbenzene

1,1'-biphenyl;1-tert-butyl-4-ethylbenzene (PubChem CID 142597809) has the molecular formula C24H28 and a molecular weight of 316.49 g/mol. Its IUPAC name is 1,1'-biphenyl;1-tert-butyl-4-ethylbenzene.

Molecular Properties

Compound Name1,1'-biphenyl;1-tert-butyl-4-ethylbenzene
PubChem CID142597809
Molecular FormulaC24H28
Molecular Weight316.49 g/mol
Exact Mass316.22
IUPAC Name1,1'-biphenyl;1-tert-butyl-4-ethylbenzene
SMILESCCc1ccc(C(C)(C)C)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C12H18/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-5-10-6-8-11(9-7-10)12(2,3)4/h1-10H;6-9H,5H2,1-4H3
InChIKeyAYCSREVWYVXCBZ-UHFFFAOYSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.49
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,1'-biphenyl;1-tert-butyl-4-ethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-4-ethylbenzene
CID 157359507
ethane;1-ethyl-4-phenylbenzene;methane
CID 142852812
acetylene;1-ethyl-4-phenylbenzene
CID 175126841
N,N-bis[4-(4-tert-butylphenyl)phenyl]-4-(4-ethylphenyl)aniline
CID 59863422
1-tert-butyl-4-ethylbenzene;prop-1-ene;toluene
CID 171509592
1-(4-ethylphenyl)-3,5-diphenylbenzene
CID 123998830
bicyclo[2.2.0]hexa-1,3,5-triene;ethylbenzene
CID 175075360
(4-ethylphenyl)-phenylmethanediamine
CID 139628675
N,N-bis(4-tert-butylphenyl)-4-ethylaniline
CID 59863448
1,1'-biphenyl;ethylbenzene;naphthalene
CID 163537509
1-ethyl-4-[4-(2-fluoropropan-2-yl)phenyl]benzene
CID 142025123
4-ethyl-N-[4-[4-[4-(4-ethyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121323857

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;1-tert-butyl-4-ethylbenzene?
The IUPAC name of 1,1'-biphenyl;1-tert-butyl-4-ethylbenzene (CID 142597809) is 1,1'-biphenyl;1-tert-butyl-4-ethylbenzene.
What is the SMILES notation for 1,1'-biphenyl;1-tert-butyl-4-ethylbenzene?
The canonical SMILES for 1,1'-biphenyl;1-tert-butyl-4-ethylbenzene is CCc1ccc(C(C)(C)C)cc1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;1-tert-butyl-4-ethylbenzene?
The InChIKey is AYCSREVWYVXCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C12H18/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-5-10-6-8-11(9-7-10)12(2,3)4/h1-10H;6-9H,5H2,1-4H3.
What are the key properties of 1,1'-biphenyl;1-tert-butyl-4-ethylbenzene?
1,1'-biphenyl;1-tert-butyl-4-ethylbenzene has a molecular weight of 316.49 g/mol, XLogP of 6.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;1-tert-butyl-4-ethylbenzene is sourced from PubChem (CID 142597809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).