1-[bis[5-[bis(4-tert-butylphenyl)methyl]-2,4-dimethylphenyl]methyl]-5-[bis(4-tert-butylphenyl)methyl]-2,4-dimethylbenzene

C88H106 — CID 10486457

IUPAC1-[bis[5-[bis(4-tert-butylphenyl)methyl]-2,4-dimethylphenyl]methyl]-5-[bis(4-tert-butylphenyl)methyl]-2,4-dimethylbenzene
SMILESCc1cc(C)c(C(c2cc(C(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)c(C)cc2C)c2cc(C(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)c(C)cc2C)cc1C(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C88H106/c1-55-49-58(4)76(52-73(55)79(61-25-37-67(38-26-61)83(7,8)9)62-27-39-68(40-28-62)84(10,11)12)82(77-53-74(56(2)50-59(77)5)80(63-29-41-69(42-30-63)85(13,14)15)64-31-43-70(44-32-64)86(16,17)18)78-54-75(57(3)51-60(78)6)81(65-33-45-71(46-34-65)87(19,20)21)66-35-47-72(48-36-66)88(22,23)24/h25-54,79-82H,1-24H3
InChIKeyPFDSUCZXYVHDBM-UHFFFAOYSA-N
MW1163.82 g/mol
LogP24.04
Rot. Bonds12

About 1-[bis[5-[bis(4-tert-butylphenyl)methyl]-2,4-dimethylphenyl]methyl]-5-[bis(4-tert-butylphenyl)methyl]-2,4-dimethylbenzene

1-[bis[5-[bis(4-tert-butylphenyl)methyl]-2,4-dimethylphenyl]methyl]-5-[bis(4-tert-butylphenyl)methyl]-2,4-dimethylbenzene (PubChem CID 10486457) has the molecular formula C88H106 and a molecular weight of 1163.82 g/mol. Its IUPAC name is 1-[bis[5-[bis(4-tert-butylphenyl)methyl]-2,4-dimethylphenyl]methyl]-5-[bis(4-tert-butylphenyl)methyl]-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-[bis[5-[bis(4-tert-butylphenyl)methyl]-2,4-dimethylphenyl]methyl]-5-[bis(4-tert-butylphenyl)methyl]-2,4-dimethylbenzene
PubChem CID10486457
Molecular FormulaC88H106
Molecular Weight1163.82 g/mol
Exact Mass1162.83
IUPAC Name1-[bis[5-[bis(4-tert-butylphenyl)methyl]-2,4-dimethylphenyl]methyl]-5-[bis(4-tert-butylphenyl)methyl]-2,4-dimethylbenzene
SMILESCc1cc(C)c(C(c2cc(C(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)c(C)cc2C)c2cc(C(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)c(C)cc2C)cc1C(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C88H106/c1-55-49-58(4)76(52-73(55)79(61-25-37-67(38-26-61)83(7,8)9)62-27-39-68(40-28-62)84(10,11)12)82(77-53-74(56(2)50-59(77)5)80(63-29-41-69(42-30-63)85(13,14)15)64-31-43-70(44-32-64)86(16,17)18)78-54-75(57(3)51-60(78)6)81(65-33-45-71(46-34-65)87(19,20)21)66-35-47-72(48-36-66)88(22,23)24/h25-54,79-82H,1-24H3
InChIKeyPFDSUCZXYVHDBM-UHFFFAOYSA-N
XLogP24.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001163.82
LogP ≤ 524.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[bis[5-[bis(4-tert-butylphenyl)methyl]-2,4-dimethylphenyl]methyl]-5-[bis(4-tert-butylphenyl)methyl]-2,4-dimethylbenzene?
The IUPAC name of 1-[bis[5-[bis(4-tert-butylphenyl)methyl]-2,4-dimethylphenyl]methyl]-5-[bis(4-tert-butylphenyl)methyl]-2,4-dimethylbenzene (CID 10486457) is 1-[bis[5-[bis(4-tert-butylphenyl)methyl]-2,4-dimethylphenyl]methyl]-5-[bis(4-tert-butylphenyl)methyl]-2,4-dimethylbenzene.
What is the SMILES notation for 1-[bis[5-[bis(4-tert-butylphenyl)methyl]-2,4-dimethylphenyl]methyl]-5-[bis(4-tert-butylphenyl)methyl]-2,4-dimethylbenzene?
The canonical SMILES for 1-[bis[5-[bis(4-tert-butylphenyl)methyl]-2,4-dimethylphenyl]methyl]-5-[bis(4-tert-butylphenyl)methyl]-2,4-dimethylbenzene is Cc1cc(C)c(C(c2cc(C(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)c(C)cc2C)c2cc(C(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)c(C)cc2C)cc1C(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[bis[5-[bis(4-tert-butylphenyl)methyl]-2,4-dimethylphenyl]methyl]-5-[bis(4-tert-butylphenyl)methyl]-2,4-dimethylbenzene?
The InChIKey is PFDSUCZXYVHDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H106/c1-55-49-58(4)76(52-73(55)79(61-25-37-67(38-26-61)83(7,8)9)62-27-39-68(40-28-62)84(10,11)12)82(77-53-74(56(2)50-59(77)5)80(63-29-41-69(42-30-63)85(13,14)15)64-31-43-70(44-32-64)86(16,17)18)78-54-75(57(3)51-60(78)6)81(65-33-45-71(46-34-65)87(19,20)21)66-35-47-72(48-36-66)88(22,23)24/h25-54,79-82H,1-24H3.
What are the key properties of 1-[bis[5-[bis(4-tert-butylphenyl)methyl]-2,4-dimethylphenyl]methyl]-5-[bis(4-tert-butylphenyl)methyl]-2,4-dimethylbenzene?
1-[bis[5-[bis(4-tert-butylphenyl)methyl]-2,4-dimethylphenyl]methyl]-5-[bis(4-tert-butylphenyl)methyl]-2,4-dimethylbenzene has a molecular weight of 1163.82 g/mol, XLogP of 24.04, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis[5-[bis(4-tert-butylphenyl)methyl]-2,4-dimethylphenyl]methyl]-5-[bis(4-tert-butylphenyl)methyl]-2,4-dimethylbenzene is sourced from PubChem (CID 10486457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).