1,2-bis(4-tert-butylphenyl)naphthalene

C30H32 — CID 163894539

IUPAC1,2-bis(4-tert-butylphenyl)naphthalene
SMILESCC(C)(C)c1ccc(-c2ccc3ccccc3c2-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H32/c1-29(2,3)24-16-11-22(12-17-24)27-20-15-21-9-7-8-10-26(21)28(27)23-13-18-25(19-14-23)30(4,5)6/h7-20H,1-6H3
InChIKeyQELYCWNFXOGUEQ-UHFFFAOYSA-N
MW392.59 g/mol
LogP8.77
Rot. Bonds2

About 1,2-bis(4-tert-butylphenyl)naphthalene

1,2-bis(4-tert-butylphenyl)naphthalene (PubChem CID 163894539) has the molecular formula C30H32 and a molecular weight of 392.59 g/mol. Its IUPAC name is 1,2-bis(4-tert-butylphenyl)naphthalene.

Molecular Properties

Compound Name1,2-bis(4-tert-butylphenyl)naphthalene
PubChem CID163894539
Molecular FormulaC30H32
Molecular Weight392.59 g/mol
Exact Mass392.25
IUPAC Name1,2-bis(4-tert-butylphenyl)naphthalene
SMILESCC(C)(C)c1ccc(-c2ccc3ccccc3c2-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H32/c1-29(2,3)24-16-11-22(12-17-24)27-20-15-21-9-7-8-10-26(21)28(27)23-13-18-25(19-14-23)30(4,5)6/h7-20H,1-6H3
InChIKeyQELYCWNFXOGUEQ-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

1,2-diphenylnaphthalene
CID 11208267
1,4-bis(4-tert-butylphenyl)naphthalene
CID 123481845
1-(4-tert-butylphenyl)phenanthrene
CID 160779403
2,4-bis(4-tert-butylphenyl)-6-[3-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine
CID 168756347
9-[5-[1-(4-tert-butylphenyl)naphthalen-2-yl]naphthalen-1-yl]-1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene
CID 176726774
9-(4-tert-butylphenyl)-10-phenanthren-9-ylanthracene
CID 59592442
1-(4-tert-butylphenyl)-4-[4-[4-[6-(4-tert-butylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalene
CID 59169238
2,3-bis(4-tert-butylphenyl)-1-iodonaphthalene
CID 141284541
5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene
CID 22935008
N,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172526975
ethane;2-[1-(4-methylphenyl)naphthalen-2-yl]triphenylene
CID 142592981
2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene
CID 140869806

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-tert-butylphenyl)naphthalene?
The IUPAC name of 1,2-bis(4-tert-butylphenyl)naphthalene (CID 163894539) is 1,2-bis(4-tert-butylphenyl)naphthalene.
What is the SMILES notation for 1,2-bis(4-tert-butylphenyl)naphthalene?
The canonical SMILES for 1,2-bis(4-tert-butylphenyl)naphthalene is CC(C)(C)c1ccc(-c2ccc3ccccc3c2-c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 1,2-bis(4-tert-butylphenyl)naphthalene?
The InChIKey is QELYCWNFXOGUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32/c1-29(2,3)24-16-11-22(12-17-24)27-20-15-21-9-7-8-10-26(21)28(27)23-13-18-25(19-14-23)30(4,5)6/h7-20H,1-6H3.
What are the key properties of 1,2-bis(4-tert-butylphenyl)naphthalene?
1,2-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 1,2-bis(4-tert-butylphenyl)naphthalene is sourced from PubChem (CID 163894539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).