7-tert-butyl-1-(2,7-ditert-butylnaphthalen-1-yl)-2,2-dimethyl-1H-cyclobuta[a]naphthalene

C36H44 — CID 145441334

IUPAC7-tert-butyl-1-(2,7-ditert-butylnaphthalen-1-yl)-2,2-dimethyl-1H-cyclobuta[a]naphthalene
SMILESCC(C)(C)c1ccc2ccc(C(C)(C)C)c(C3c4c(ccc5ccc(C(C)(C)C)cc45)C3(C)C)c2c1
InChIInChI=1S/C36H44/c1-33(2,3)24-16-12-22-14-18-28(35(7,8)9)30(26(22)20-24)32-31-27-21-25(34(4,5)6)17-13-23(27)15-19-29(31)36(32,10)11/h12-21,32H,1-11H3
InChIKeyHAAAUOYBWLRWLZ-UHFFFAOYSA-N
MW476.75 g/mol
LogP10.31
Rot. Bonds1

About 7-tert-butyl-1-(2,7-ditert-butylnaphthalen-1-yl)-2,2-dimethyl-1H-cyclobuta[a]naphthalene

7-tert-butyl-1-(2,7-ditert-butylnaphthalen-1-yl)-2,2-dimethyl-1H-cyclobuta[a]naphthalene (PubChem CID 145441334) has the molecular formula C36H44 and a molecular weight of 476.75 g/mol. Its IUPAC name is 7-tert-butyl-1-(2,7-ditert-butylnaphthalen-1-yl)-2,2-dimethyl-1H-cyclobuta[a]naphthalene.

Molecular Properties

Compound Name7-tert-butyl-1-(2,7-ditert-butylnaphthalen-1-yl)-2,2-dimethyl-1H-cyclobuta[a]naphthalene
PubChem CID145441334
Molecular FormulaC36H44
Molecular Weight476.75 g/mol
Exact Mass476.34
IUPAC Name7-tert-butyl-1-(2,7-ditert-butylnaphthalen-1-yl)-2,2-dimethyl-1H-cyclobuta[a]naphthalene
SMILESCC(C)(C)c1ccc2ccc(C(C)(C)C)c(C3c4c(ccc5ccc(C(C)(C)C)cc45)C3(C)C)c2c1
InChIInChI=1S/C36H44/c1-33(2,3)24-16-12-22-14-18-28(35(7,8)9)30(26(22)20-24)32-31-27-21-25(34(4,5)6)17-13-23(27)15-19-29(31)36(32,10)11/h12-21,32H,1-11H3
InChIKeyHAAAUOYBWLRWLZ-UHFFFAOYSA-N
XLogP10.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.75
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-1-(2,7-ditert-butylnaphthalen-1-yl)-2,2-dimethyl-1H-cyclobuta[a]naphthalene?
The IUPAC name of 7-tert-butyl-1-(2,7-ditert-butylnaphthalen-1-yl)-2,2-dimethyl-1H-cyclobuta[a]naphthalene (CID 145441334) is 7-tert-butyl-1-(2,7-ditert-butylnaphthalen-1-yl)-2,2-dimethyl-1H-cyclobuta[a]naphthalene.
What is the SMILES notation for 7-tert-butyl-1-(2,7-ditert-butylnaphthalen-1-yl)-2,2-dimethyl-1H-cyclobuta[a]naphthalene?
The canonical SMILES for 7-tert-butyl-1-(2,7-ditert-butylnaphthalen-1-yl)-2,2-dimethyl-1H-cyclobuta[a]naphthalene is CC(C)(C)c1ccc2ccc(C(C)(C)C)c(C3c4c(ccc5ccc(C(C)(C)C)cc45)C3(C)C)c2c1.
What is the InChIKey of 7-tert-butyl-1-(2,7-ditert-butylnaphthalen-1-yl)-2,2-dimethyl-1H-cyclobuta[a]naphthalene?
The InChIKey is HAAAUOYBWLRWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44/c1-33(2,3)24-16-12-22-14-18-28(35(7,8)9)30(26(22)20-24)32-31-27-21-25(34(4,5)6)17-13-23(27)15-19-29(31)36(32,10)11/h12-21,32H,1-11H3.
What are the key properties of 7-tert-butyl-1-(2,7-ditert-butylnaphthalen-1-yl)-2,2-dimethyl-1H-cyclobuta[a]naphthalene?
7-tert-butyl-1-(2,7-ditert-butylnaphthalen-1-yl)-2,2-dimethyl-1H-cyclobuta[a]naphthalene has a molecular weight of 476.75 g/mol, XLogP of 10.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-1-(2,7-ditert-butylnaphthalen-1-yl)-2,2-dimethyl-1H-cyclobuta[a]naphthalene is sourced from PubChem (CID 145441334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).