1-tert-butyl-2-[2-(3-tert-butylphenyl)propan-2-yl]benzene

C23H32 — CID 101326652

IUPAC1-tert-butyl-2-[2-(3-tert-butylphenyl)propan-2-yl]benzene
SMILESCC(C)(C)c1cccc(C(C)(C)c2ccccc2C(C)(C)C)c1
InChIInChI=1S/C23H32/c1-21(2,3)17-12-11-13-18(16-17)23(7,8)20-15-10-9-14-19(20)22(4,5)6/h9-16H,1-8H3
InChIKeyPFSMQENUJKDNOG-UHFFFAOYSA-N
MW308.51 g/mol
LogP6.61
Rot. Bonds2

About 1-tert-butyl-2-[2-(3-tert-butylphenyl)propan-2-yl]benzene

1-tert-butyl-2-[2-(3-tert-butylphenyl)propan-2-yl]benzene (PubChem CID 101326652) has the molecular formula C23H32 and a molecular weight of 308.51 g/mol. Its IUPAC name is 1-tert-butyl-2-[2-(3-tert-butylphenyl)propan-2-yl]benzene.

Molecular Properties

Compound Name1-tert-butyl-2-[2-(3-tert-butylphenyl)propan-2-yl]benzene
PubChem CID101326652
Molecular FormulaC23H32
Molecular Weight308.51 g/mol
Exact Mass308.25
IUPAC Name1-tert-butyl-2-[2-(3-tert-butylphenyl)propan-2-yl]benzene
SMILESCC(C)(C)c1cccc(C(C)(C)c2ccccc2C(C)(C)C)c1
InChIInChI=1S/C23H32/c1-21(2,3)17-12-11-13-18(16-17)23(7,8)20-15-10-9-14-19(20)22(4,5)6/h9-16H,1-8H3
InChIKeyPFSMQENUJKDNOG-UHFFFAOYSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[2-(3-tert-butylphenyl)propan-2-yl]benzene?
The IUPAC name of 1-tert-butyl-2-[2-(3-tert-butylphenyl)propan-2-yl]benzene (CID 101326652) is 1-tert-butyl-2-[2-(3-tert-butylphenyl)propan-2-yl]benzene.
What is the SMILES notation for 1-tert-butyl-2-[2-(3-tert-butylphenyl)propan-2-yl]benzene?
The canonical SMILES for 1-tert-butyl-2-[2-(3-tert-butylphenyl)propan-2-yl]benzene is CC(C)(C)c1cccc(C(C)(C)c2ccccc2C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-2-[2-(3-tert-butylphenyl)propan-2-yl]benzene?
The InChIKey is PFSMQENUJKDNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32/c1-21(2,3)17-12-11-13-18(16-17)23(7,8)20-15-10-9-14-19(20)22(4,5)6/h9-16H,1-8H3.
What are the key properties of 1-tert-butyl-2-[2-(3-tert-butylphenyl)propan-2-yl]benzene?
1-tert-butyl-2-[2-(3-tert-butylphenyl)propan-2-yl]benzene has a molecular weight of 308.51 g/mol, XLogP of 6.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[2-(3-tert-butylphenyl)propan-2-yl]benzene is sourced from PubChem (CID 101326652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).