4-[4-(4-ethylnaphthalen-1-yl)phenyl]dibenzofuran

C30H22O — CID 129199601

IUPAC4-[4-(4-ethylnaphthalen-1-yl)phenyl]dibenzofuran
SMILESCCc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccccc12
InChIInChI=1S/C30H22O/c1-2-20-18-19-24(26-9-4-3-8-23(20)26)21-14-16-22(17-15-21)25-11-7-12-28-27-10-5-6-13-29(27)31-30(25)28/h3-19H,2H2,1H3
InChIKeyVJADPYKLAPRXOV-UHFFFAOYSA-N
MW398.51 g/mol
LogP8.64
Rot. Bonds3

About 4-[4-(4-ethylnaphthalen-1-yl)phenyl]dibenzofuran

4-[4-(4-ethylnaphthalen-1-yl)phenyl]dibenzofuran (PubChem CID 129199601) has the molecular formula C30H22O and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-[4-(4-ethylnaphthalen-1-yl)phenyl]dibenzofuran.

Molecular Properties

Compound Name4-[4-(4-ethylnaphthalen-1-yl)phenyl]dibenzofuran
PubChem CID129199601
Molecular FormulaC30H22O
Molecular Weight398.51 g/mol
Exact Mass398.17
IUPAC Name4-[4-(4-ethylnaphthalen-1-yl)phenyl]dibenzofuran
SMILESCCc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccccc12
InChIInChI=1S/C30H22O/c1-2-20-18-19-24(26-9-4-3-8-23(20)26)21-14-16-22(17-15-21)25-11-7-12-28-27-10-5-6-13-29(27)31-30(25)28/h3-19H,2H2,1H3
InChIKeyVJADPYKLAPRXOV-UHFFFAOYSA-N
XLogP8.64
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-propylphenyl)dibenzofuran
CID 156827246
4-(4-bromophenyl)dibenzofuran
CID 59022098
(4-dibenzofuran-4-ylphenyl)methanamine
CID 67186774
N-(4-dibenzofuran-4-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline
CID 58113345
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-phenylaniline
CID 162494606
N-(4-dibenzofuran-4-ylphenyl)-3,8-diethyl-N-phenylpyren-1-amine
CID 58461967
4-[4-[3-(4-dibenzofuran-4-ylphenyl)propyl]phenyl]dibenzofuran
CID 138462036
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59022075
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
CID 59022085
4-[4-[1-(4-phenylphenyl)ethyl]phenyl]dibenzofuran
CID 174178014
4-(4-dibenzofuran-4-ylphenyl)aniline
CID 58510844
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethylnaphthalen-1-yl)phenyl]dibenzofuran?
The IUPAC name of 4-[4-(4-ethylnaphthalen-1-yl)phenyl]dibenzofuran (CID 129199601) is 4-[4-(4-ethylnaphthalen-1-yl)phenyl]dibenzofuran.
What is the SMILES notation for 4-[4-(4-ethylnaphthalen-1-yl)phenyl]dibenzofuran?
The canonical SMILES for 4-[4-(4-ethylnaphthalen-1-yl)phenyl]dibenzofuran is CCc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccccc12.
What is the InChIKey of 4-[4-(4-ethylnaphthalen-1-yl)phenyl]dibenzofuran?
The InChIKey is VJADPYKLAPRXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22O/c1-2-20-18-19-24(26-9-4-3-8-23(20)26)21-14-16-22(17-15-21)25-11-7-12-28-27-10-5-6-13-29(27)31-30(25)28/h3-19H,2H2,1H3.
What are the key properties of 4-[4-(4-ethylnaphthalen-1-yl)phenyl]dibenzofuran?
4-[4-(4-ethylnaphthalen-1-yl)phenyl]dibenzofuran has a molecular weight of 398.51 g/mol, XLogP of 8.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethylnaphthalen-1-yl)phenyl]dibenzofuran is sourced from PubChem (CID 129199601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).