(2,2-dimethyl-1,1-diphenylpropyl)benzene;bis(2,2-dimethylpropane)

C33H48 — CID 162197471

IUPAC(2,2-dimethyl-1,1-diphenylpropyl)benzene;bis(2,2-dimethylpropane)
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24.2C5H12/c1-22(2,3)23(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21;2*1-5(2,3)4/h4-18H,1-3H3;2*1-4H3
InChIKeyZRDHNLRLFITGQA-UHFFFAOYSA-N
MW444.75 g/mol
LogP10.17
Rot. Bonds3

About (2,2-dimethyl-1,1-diphenylpropyl)benzene;bis(2,2-dimethylpropane)

(2,2-dimethyl-1,1-diphenylpropyl)benzene;bis(2,2-dimethylpropane) (PubChem CID 162197471) has the molecular formula C33H48 and a molecular weight of 444.75 g/mol. Its IUPAC name is (2,2-dimethyl-1,1-diphenylpropyl)benzene;bis(2,2-dimethylpropane).

Molecular Properties

Compound Name(2,2-dimethyl-1,1-diphenylpropyl)benzene;bis(2,2-dimethylpropane)
PubChem CID162197471
Molecular FormulaC33H48
Molecular Weight444.75 g/mol
Exact Mass444.38
IUPAC Name(2,2-dimethyl-1,1-diphenylpropyl)benzene;bis(2,2-dimethylpropane)
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24.2C5H12/c1-22(2,3)23(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21;2*1-5(2,3)4/h4-18H,1-3H3;2*1-4H3
InChIKeyZRDHNLRLFITGQA-UHFFFAOYSA-N
XLogP10.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.75
LogP ≤ 510.17
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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Related Compounds

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CID 171375456
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CID 19019197
tert-butylbenzene;chloromethane;ethane
CID 91149652
tert-butylbenzene;molecular nitrogen
CID 146464751
1-tert-butyl-4-[1-(4-tert-butylphenyl)-2,2,2-trifluoro-1-phenylethyl]benzene
CID 20557378
[1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-2,2-dimethyl-1-phenylpropyl]benzene
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CID 59630443

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1,1-diphenylpropyl)benzene;bis(2,2-dimethylpropane)?
The IUPAC name of (2,2-dimethyl-1,1-diphenylpropyl)benzene;bis(2,2-dimethylpropane) (CID 162197471) is (2,2-dimethyl-1,1-diphenylpropyl)benzene;bis(2,2-dimethylpropane).
What is the SMILES notation for (2,2-dimethyl-1,1-diphenylpropyl)benzene;bis(2,2-dimethylpropane)?
The canonical SMILES for (2,2-dimethyl-1,1-diphenylpropyl)benzene;bis(2,2-dimethylpropane) is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2,2-dimethyl-1,1-diphenylpropyl)benzene;bis(2,2-dimethylpropane)?
The InChIKey is ZRDHNLRLFITGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24.2C5H12/c1-22(2,3)23(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21;2*1-5(2,3)4/h4-18H,1-3H3;2*1-4H3.
What are the key properties of (2,2-dimethyl-1,1-diphenylpropyl)benzene;bis(2,2-dimethylpropane)?
(2,2-dimethyl-1,1-diphenylpropyl)benzene;bis(2,2-dimethylpropane) has a molecular weight of 444.75 g/mol, XLogP of 10.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1,1-diphenylpropyl)benzene;bis(2,2-dimethylpropane) is sourced from PubChem (CID 162197471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).