1,4-bis(4-tert-butylphenyl)naphthalene

C30H32 — CID 123481845

IUPAC1,4-bis(4-tert-butylphenyl)naphthalene
SMILESCC(C)(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)C)cc3)c3ccccc23)cc1
InChIInChI=1S/C30H32/c1-29(2,3)23-15-11-21(12-16-23)25-19-20-26(28-10-8-7-9-27(25)28)22-13-17-24(18-14-22)30(4,5)6/h7-20H,1-6H3
InChIKeyZFVGBTKHVJYFQC-UHFFFAOYSA-N
MW392.59 g/mol
LogP8.77
Rot. Bonds2

About 1,4-bis(4-tert-butylphenyl)naphthalene

1,4-bis(4-tert-butylphenyl)naphthalene (PubChem CID 123481845) has the molecular formula C30H32 and a molecular weight of 392.59 g/mol. Its IUPAC name is 1,4-bis(4-tert-butylphenyl)naphthalene.

Molecular Properties

Compound Name1,4-bis(4-tert-butylphenyl)naphthalene
PubChem CID123481845
Molecular FormulaC30H32
Molecular Weight392.59 g/mol
Exact Mass392.25
IUPAC Name1,4-bis(4-tert-butylphenyl)naphthalene
SMILESCC(C)(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)C)cc3)c3ccccc23)cc1
InChIInChI=1S/C30H32/c1-29(2,3)23-15-11-21(12-16-23)25-19-20-26(28-10-8-7-9-27(25)28)22-13-17-24(18-14-22)30(4,5)6/h7-20H,1-6H3
InChIKeyZFVGBTKHVJYFQC-UHFFFAOYSA-N
XLogP8.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.59
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-tert-butylphenyl)-4-[4-[4-[6-(4-tert-butylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalene
CID 59169238
1-(4-tert-butylphenyl)phenanthrene
CID 160779403
1,2-bis(4-tert-butylphenyl)naphthalene
CID 163894539
5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene
CID 22935008
1,6-bis(4-tert-butylphenyl)-3,8-bis(4-naphthalen-1-ylphenyl)pyrene
CID 59391221
1-(bromomethyl)-5-(4-tert-butylphenyl)naphthalene
CID 70653135
3-(4-tert-butylphenyl)-1H-inden-1-ide;zirconium
CID 152512342
1-tert-butyl-4-(2-iodophenyl)benzene
CID 22914033
2-(4-tert-butylphenyl)benzenethiol
CID 22566543
[2-(4-tert-butylphenyl)phenyl]phosphane
CID 58067255
1-(4-tert-butylphenyl)-4-[(E)-2-nitroethenyl]naphthalene
CID 70652799
3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)naphthalen-1-yl]naphthalene
CID 175769843

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-tert-butylphenyl)naphthalene?
The IUPAC name of 1,4-bis(4-tert-butylphenyl)naphthalene (CID 123481845) is 1,4-bis(4-tert-butylphenyl)naphthalene.
What is the SMILES notation for 1,4-bis(4-tert-butylphenyl)naphthalene?
The canonical SMILES for 1,4-bis(4-tert-butylphenyl)naphthalene is CC(C)(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)C)cc3)c3ccccc23)cc1.
What is the InChIKey of 1,4-bis(4-tert-butylphenyl)naphthalene?
The InChIKey is ZFVGBTKHVJYFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32/c1-29(2,3)23-15-11-21(12-16-23)25-19-20-26(28-10-8-7-9-27(25)28)22-13-17-24(18-14-22)30(4,5)6/h7-20H,1-6H3.
What are the key properties of 1,4-bis(4-tert-butylphenyl)naphthalene?
1,4-bis(4-tert-butylphenyl)naphthalene has a molecular weight of 392.59 g/mol, XLogP of 8.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-tert-butylphenyl)naphthalene is sourced from PubChem (CID 123481845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).