2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene

C30H34 — CID 159502457

IUPAC2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene
SMILESCC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc2ccccc2c1
InChIInChI=1S/C16H18.C14H16/c1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13/h4-12H,1-3H3;4-10H,1-3H3
InChIKeyLZOGDSAFCHKVPX-UHFFFAOYSA-N
MW394.60 g/mol
LogP8.79
Rot. Bonds1

About 2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene

2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene (PubChem CID 159502457) has the molecular formula C30H34 and a molecular weight of 394.60 g/mol. Its IUPAC name is 2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene.

Molecular Properties

Compound Name2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene
PubChem CID159502457
Molecular FormulaC30H34
Molecular Weight394.60 g/mol
Exact Mass394.27
IUPAC Name2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene
SMILESCC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc2ccccc2c1
InChIInChI=1S/C16H18.C14H16/c1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13/h4-12H,1-3H3;4-10H,1-3H3
InChIKeyLZOGDSAFCHKVPX-UHFFFAOYSA-N
XLogP8.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.60
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

anthracene;tris(1,1'-biphenyl);tert-butylbenzene;heptakis(2,2-dimethylpropane);ethane;naphthalene;phenanthrene;toluene
CID 163831786
2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-4-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;1-tert-butyl-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
CID 167578783
2-tert-butyl-9,10-dinaphthalen-2-yl-6-phenylanthracene
CID 59342691
tert-butylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-(4-phenylphenyl)benzene;1-tert-butyl-4-(3-phenylphenyl)benzene;1-tert-butyl-4-(4-phenylphenyl)benzene;1,4-ditert-butylbenzene
CID 162095144
anthracene;tris(1,1'-biphenyl);tert-butylbenzene;tris(2,2-dimethylbutane);tris(2,2-dimethylpropane);ethane;naphthalene;phenanthrene;toluene
CID 165055273
2-(trinaphthalen-2-ylmethyl)naphthalene
CID 101401266
2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252303
tris(1,1'-biphenyl);tert-butylbenzene;1-tert-butyl-4-methylbenzene;1,4-ditert-butylbenzene;pentakis(2,2-dimethylpropane);naphthalene;toluene;triphenylene
CID 157494784
2-tert-butylchrysene;2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;3-tert-butylpicene
CID 158261275
9-(4-tert-butylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
CID 58590190
1-tert-butyl-3-(4-tert-butylphenyl)benzene
CID 12682933
2,6-ditert-butyl-9-(4-naphthalen-2-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 58830813

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene?
The IUPAC name of 2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene (CID 159502457) is 2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene.
What is the SMILES notation for 2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene?
The canonical SMILES for 2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene is CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc2ccccc2c1.
What is the InChIKey of 2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene?
The InChIKey is LZOGDSAFCHKVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18.C14H16/c1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13/h4-12H,1-3H3;4-10H,1-3H3.
What are the key properties of 2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene?
2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene has a molecular weight of 394.60 g/mol, XLogP of 8.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene is sourced from PubChem (CID 159502457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).