2-tert-butyl-4-(2-chlorophenyl)-1-phenylnaphthalene

C26H23Cl — CID 176866137

IUPAC2-tert-butyl-4-(2-chlorophenyl)-1-phenylnaphthalene
SMILESCC(C)(C)c1cc(-c2ccccc2Cl)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C26H23Cl/c1-26(2,3)23-17-22(20-14-9-10-16-24(20)27)19-13-7-8-15-21(19)25(23)18-11-5-4-6-12-18/h4-17H,1-3H3
InChIKeyJXEIMQFTOFCBRJ-UHFFFAOYSA-N
MW370.92 g/mol
LogP8.12
Rot. Bonds2

About 2-tert-butyl-4-(2-chlorophenyl)-1-phenylnaphthalene

2-tert-butyl-4-(2-chlorophenyl)-1-phenylnaphthalene (PubChem CID 176866137) has the molecular formula C26H23Cl and a molecular weight of 370.92 g/mol. Its IUPAC name is 2-tert-butyl-4-(2-chlorophenyl)-1-phenylnaphthalene.

Molecular Properties

Compound Name2-tert-butyl-4-(2-chlorophenyl)-1-phenylnaphthalene
PubChem CID176866137
Molecular FormulaC26H23Cl
Molecular Weight370.92 g/mol
Exact Mass370.15
IUPAC Name2-tert-butyl-4-(2-chlorophenyl)-1-phenylnaphthalene
SMILESCC(C)(C)c1cc(-c2ccccc2Cl)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C26H23Cl/c1-26(2,3)23-17-22(20-14-9-10-16-24(20)27)19-13-7-8-15-21(19)25(23)18-11-5-4-6-12-18/h4-17H,1-3H3
InChIKeyJXEIMQFTOFCBRJ-UHFFFAOYSA-N
XLogP8.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.92
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-tert-butyl-4-(2-chlorophenyl)-1-phenylnaphthalene 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

2-tert-butyl-1,4-diphenylnaphthalene
CID 10759331
1-chloro-2-[2-[2-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 171525544
9-tert-butyl-1-phenylphenanthrene
CID 166007758
9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene
CID 58711316
2-bromo-4-chloro-1-phenylnaphthalene
CID 167008767
2-tert-butyl-1-chloro-3-phenylbenzene
CID 54287160
1-(2-tert-butylphenyl)-2,3-dichlorobenzene
CID 67807125
9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 140825339
9,19,29-tris[2-(2-chlorophenyl)phenyl]heptacyclo[20.8.0.02,11.03,8.012,21.013,18.023,28]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene
CID 132507939
2,3-ditert-butyltetraphenylene
CID 166497085
10-(2-chlorophenyl)-2-phenylphenanthrene
CID 172565671
4-(1,4-diphenylnaphthalen-2-yl)-4-methylpentanal
CID 25270355

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(2-chlorophenyl)-1-phenylnaphthalene?
The IUPAC name of 2-tert-butyl-4-(2-chlorophenyl)-1-phenylnaphthalene (CID 176866137) is 2-tert-butyl-4-(2-chlorophenyl)-1-phenylnaphthalene.
What is the SMILES notation for 2-tert-butyl-4-(2-chlorophenyl)-1-phenylnaphthalene?
The canonical SMILES for 2-tert-butyl-4-(2-chlorophenyl)-1-phenylnaphthalene is CC(C)(C)c1cc(-c2ccccc2Cl)c2ccccc2c1-c1ccccc1.
What is the InChIKey of 2-tert-butyl-4-(2-chlorophenyl)-1-phenylnaphthalene?
The InChIKey is JXEIMQFTOFCBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl/c1-26(2,3)23-17-22(20-14-9-10-16-24(20)27)19-13-7-8-15-21(19)25(23)18-11-5-4-6-12-18/h4-17H,1-3H3.
What are the key properties of 2-tert-butyl-4-(2-chlorophenyl)-1-phenylnaphthalene?
2-tert-butyl-4-(2-chlorophenyl)-1-phenylnaphthalene has a molecular weight of 370.92 g/mol, XLogP of 8.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(2-chlorophenyl)-1-phenylnaphthalene is sourced from PubChem (CID 176866137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).