2,4-bis[bis(4-tert-butylphenyl)methyl]-1,3,5-trimethylbenzene

C51H64 — CID 138962496

IUPAC2,4-bis[bis(4-tert-butylphenyl)methyl]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(C(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c(C)c1C(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C51H64/c1-33-32-34(2)45(47(38-20-28-42(29-21-38)50(10,11)12)39-22-30-43(31-23-39)51(13,14)15)35(3)44(33)46(36-16-24-40(25-17-36)48(4,5)6)37-18-26-41(27-19-37)49(7,8)9/h16-32,46-47H,1-15H3
InChIKeyBMXSTTZEZYRAHR-UHFFFAOYSA-N
MW677.07 g/mol
LogP14.16
Rot. Bonds6

About 2,4-bis[bis(4-tert-butylphenyl)methyl]-1,3,5-trimethylbenzene

2,4-bis[bis(4-tert-butylphenyl)methyl]-1,3,5-trimethylbenzene (PubChem CID 138962496) has the molecular formula C51H64 and a molecular weight of 677.07 g/mol. Its IUPAC name is 2,4-bis[bis(4-tert-butylphenyl)methyl]-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2,4-bis[bis(4-tert-butylphenyl)methyl]-1,3,5-trimethylbenzene
PubChem CID138962496
Molecular FormulaC51H64
Molecular Weight677.07 g/mol
Exact Mass676.50
IUPAC Name2,4-bis[bis(4-tert-butylphenyl)methyl]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(C(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c(C)c1C(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C51H64/c1-33-32-34(2)45(47(38-20-28-42(29-21-38)50(10,11)12)39-22-30-43(31-23-39)51(13,14)15)35(3)44(33)46(36-16-24-40(25-17-36)48(4,5)6)37-18-26-41(27-19-37)49(7,8)9/h16-32,46-47H,1-15H3
InChIKeyBMXSTTZEZYRAHR-UHFFFAOYSA-N
XLogP14.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.07
LogP ≤ 514.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,4-bis[bis(4-tert-butylphenyl)methyl]-1,3,5-trimethylbenzene 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-[bis[5-[bis(4-tert-butylphenyl)methyl]-2,4-dimethylphenyl]methyl]-5-[bis(4-tert-butylphenyl)methyl]-2,4-dimethylbenzene
CID 10486457
5-tert-butyl-2-[[4-[4-[(4-tert-butyl-2,6-dimethylphenyl)-(4-methylphenyl)methyl]phenyl]phenyl]-(4-methylphenyl)methyl]-1,3-dimethylbenzene
CID 123777850
(4-tert-butylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
CID 106877511
1-tert-butyl-4-(1-methoxyethyl)benzene
CID 15498380
1-[bis(4-tert-butylphenyl)methyl]-4-(trifluoromethyl)benzene
CID 155096011
1-tert-butyl-4-[2-(4-tert-butylphenyl)-1,2-difluoroethyl]benzene
CID 58671895
1,2-bis(4-tert-butylphenyl)ethane-1,2-diol
CID 21199328
2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxyphenyl)-1-phenylethyl]phenol;4-[(4-hydroxy-2,3,6-trimethylphenyl)-phenylmethyl]-2,3,5-trimethylphenol
CID 87929555
4-[1-(3,4-dimethylphenyl)ethyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene
CID 91524620
1-[(4-tert-butylphenyl)-chloromethyl]-3,5-dimethylbenzene
CID 63431779
(1R)-1-(4-tert-butylphenyl)ethanol
CID 6990572
1-tert-butyl-4-methylbenzene
CID 163486601

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[bis(4-tert-butylphenyl)methyl]-1,3,5-trimethylbenzene?
The IUPAC name of 2,4-bis[bis(4-tert-butylphenyl)methyl]-1,3,5-trimethylbenzene (CID 138962496) is 2,4-bis[bis(4-tert-butylphenyl)methyl]-1,3,5-trimethylbenzene.
What is the SMILES notation for 2,4-bis[bis(4-tert-butylphenyl)methyl]-1,3,5-trimethylbenzene?
The canonical SMILES for 2,4-bis[bis(4-tert-butylphenyl)methyl]-1,3,5-trimethylbenzene is Cc1cc(C)c(C(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c(C)c1C(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2,4-bis[bis(4-tert-butylphenyl)methyl]-1,3,5-trimethylbenzene?
The InChIKey is BMXSTTZEZYRAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H64/c1-33-32-34(2)45(47(38-20-28-42(29-21-38)50(10,11)12)39-22-30-43(31-23-39)51(13,14)15)35(3)44(33)46(36-16-24-40(25-17-36)48(4,5)6)37-18-26-41(27-19-37)49(7,8)9/h16-32,46-47H,1-15H3.
What are the key properties of 2,4-bis[bis(4-tert-butylphenyl)methyl]-1,3,5-trimethylbenzene?
2,4-bis[bis(4-tert-butylphenyl)methyl]-1,3,5-trimethylbenzene has a molecular weight of 677.07 g/mol, XLogP of 14.16, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[bis(4-tert-butylphenyl)methyl]-1,3,5-trimethylbenzene is sourced from PubChem (CID 138962496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).