1-tert-butyl-4-[1-(4-tert-butylphenyl)-4-chloro-1-phenylbutyl]benzene

C30H37Cl — CID 15645325

IUPAC1-tert-butyl-4-[1-(4-tert-butylphenyl)-4-chloro-1-phenylbutyl]benzene
SMILESCC(C)(C)c1ccc(C(CCCCl)(c2ccccc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H37Cl/c1-28(2,3)23-13-17-26(18-14-23)30(21-10-22-31,25-11-8-7-9-12-25)27-19-15-24(16-20-27)29(4,5)6/h7-9,11-20H,10,21-22H2,1-6H3
InChIKeySUOVWHRSDKJFEY-UHFFFAOYSA-N
MW433.08 g/mol
LogP8.64
Rot. Bonds6

About 1-tert-butyl-4-[1-(4-tert-butylphenyl)-4-chloro-1-phenylbutyl]benzene

1-tert-butyl-4-[1-(4-tert-butylphenyl)-4-chloro-1-phenylbutyl]benzene (PubChem CID 15645325) has the molecular formula C30H37Cl and a molecular weight of 433.08 g/mol. Its IUPAC name is 1-tert-butyl-4-[1-(4-tert-butylphenyl)-4-chloro-1-phenylbutyl]benzene.

Molecular Properties

Compound Name1-tert-butyl-4-[1-(4-tert-butylphenyl)-4-chloro-1-phenylbutyl]benzene
PubChem CID15645325
Molecular FormulaC30H37Cl
Molecular Weight433.08 g/mol
Exact Mass432.26
IUPAC Name1-tert-butyl-4-[1-(4-tert-butylphenyl)-4-chloro-1-phenylbutyl]benzene
SMILESCC(C)(C)c1ccc(C(CCCCl)(c2ccccc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H37Cl/c1-28(2,3)23-13-17-26(18-14-23)30(21-10-22-31,25-11-8-7-9-12-25)27-19-15-24(16-20-27)29(4,5)6/h7-9,11-20H,10,21-22H2,1-6H3
InChIKeySUOVWHRSDKJFEY-UHFFFAOYSA-N
XLogP8.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.08
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-[1-(4-chlorophenyl)-1-phenylpentyl]benzene
CID 57254584
tert-butylbenzene;hexane
CID 175254424
tert-butylbenzene;chloromethane;ethane
CID 91149652
CID 123237849
CID 123237849
4-[1-phenyl-1-(4-sulfanylphenyl)pentyl]benzenethiol
CID 156622039
CID 171375456
CID 171375456
(12-chloro-2,2-dimethyl-3-phenyldodecan-3-yl)benzene
CID 151313012
13,13,13-triphenyltridecylphosphanium bromide
CID 71354528
10,10,10-triphenyldecylphosphanium bromide
CID 69307814
2,4-dichlorobutan-2-ylbenzene
CID 91712568
1-(4-tert-butylphenyl)-1-phenylpropan-1-amine
CID 63408284
tert-butylbenzene;molecular nitrogen
CID 146464751

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[1-(4-tert-butylphenyl)-4-chloro-1-phenylbutyl]benzene?
The IUPAC name of 1-tert-butyl-4-[1-(4-tert-butylphenyl)-4-chloro-1-phenylbutyl]benzene (CID 15645325) is 1-tert-butyl-4-[1-(4-tert-butylphenyl)-4-chloro-1-phenylbutyl]benzene.
What is the SMILES notation for 1-tert-butyl-4-[1-(4-tert-butylphenyl)-4-chloro-1-phenylbutyl]benzene?
The canonical SMILES for 1-tert-butyl-4-[1-(4-tert-butylphenyl)-4-chloro-1-phenylbutyl]benzene is CC(C)(C)c1ccc(C(CCCCl)(c2ccccc2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-tert-butyl-4-[1-(4-tert-butylphenyl)-4-chloro-1-phenylbutyl]benzene?
The InChIKey is SUOVWHRSDKJFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37Cl/c1-28(2,3)23-13-17-26(18-14-23)30(21-10-22-31,25-11-8-7-9-12-25)27-19-15-24(16-20-27)29(4,5)6/h7-9,11-20H,10,21-22H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[1-(4-tert-butylphenyl)-4-chloro-1-phenylbutyl]benzene?
1-tert-butyl-4-[1-(4-tert-butylphenyl)-4-chloro-1-phenylbutyl]benzene has a molecular weight of 433.08 g/mol, XLogP of 8.64, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[1-(4-tert-butylphenyl)-4-chloro-1-phenylbutyl]benzene is sourced from PubChem (CID 15645325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).