4-[4-(3-ethylphenanthren-9-yl)phenyl]dibenzofuran

C34H24O — CID 87688509

IUPAC4-[4-(3-ethylphenanthren-9-yl)phenyl]dibenzofuran
SMILESCCc1ccc2cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccccc3c2c1
InChIInChI=1S/C34H24O/c1-2-22-14-15-25-21-32(28-9-4-3-8-27(28)31(25)20-22)24-18-16-23(17-19-24)26-11-7-12-30-29-10-5-6-13-33(29)35-34(26)30/h3-21H,2H2,1H3
InChIKeyGCOAKRZSWOVTMR-UHFFFAOYSA-N
MW448.57 g/mol
LogP9.79
Rot. Bonds3

About 4-[4-(3-ethylphenanthren-9-yl)phenyl]dibenzofuran

4-[4-(3-ethylphenanthren-9-yl)phenyl]dibenzofuran (PubChem CID 87688509) has the molecular formula C34H24O and a molecular weight of 448.57 g/mol. Its IUPAC name is 4-[4-(3-ethylphenanthren-9-yl)phenyl]dibenzofuran.

Molecular Properties

Compound Name4-[4-(3-ethylphenanthren-9-yl)phenyl]dibenzofuran
PubChem CID87688509
Molecular FormulaC34H24O
Molecular Weight448.57 g/mol
Exact Mass448.18
IUPAC Name4-[4-(3-ethylphenanthren-9-yl)phenyl]dibenzofuran
SMILESCCc1ccc2cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccccc3c2c1
InChIInChI=1S/C34H24O/c1-2-22-14-15-25-21-32(28-9-4-3-8-27(28)31(25)20-22)24-18-16-23(17-19-24)26-11-7-12-30-29-10-5-6-13-33(29)35-34(26)30/h3-21H,2H2,1H3
InChIKeyGCOAKRZSWOVTMR-UHFFFAOYSA-N
XLogP9.79
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(7-ethylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline
CID 155119908
4-(4-propylphenyl)dibenzofuran
CID 156827246
4-(9-phenanthren-2-ylchrysen-3-yl)dibenzofuran
CID 118520836
4-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
CID 155303641
(4-dibenzofuran-4-ylphenyl)methanamine
CID 67186774
4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenanthren-9-yl]phenyl]dibenzofuran
CID 87688527
4-[4-[3-(4-dibenzofuran-4-ylphenyl)propyl]phenyl]dibenzofuran
CID 138462036
4-[2-(2-phenanthren-9-ylphenyl)phenyl]dibenzofuran;4-[2-(4-phenanthren-9-ylphenyl)phenyl]dibenzofuran;4-[3-(3-phenanthren-9-ylphenyl)phenyl]dibenzofuran
CID 158579416
4-[4-(4-ethylnaphthalen-1-yl)phenyl]dibenzofuran
CID 129199601
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]chrysen-3-amine
CID 171399261
N-(4-dibenzofuran-4-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 166939315

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-ethylphenanthren-9-yl)phenyl]dibenzofuran?
The IUPAC name of 4-[4-(3-ethylphenanthren-9-yl)phenyl]dibenzofuran (CID 87688509) is 4-[4-(3-ethylphenanthren-9-yl)phenyl]dibenzofuran.
What is the SMILES notation for 4-[4-(3-ethylphenanthren-9-yl)phenyl]dibenzofuran?
The canonical SMILES for 4-[4-(3-ethylphenanthren-9-yl)phenyl]dibenzofuran is CCc1ccc2cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccccc3c2c1.
What is the InChIKey of 4-[4-(3-ethylphenanthren-9-yl)phenyl]dibenzofuran?
The InChIKey is GCOAKRZSWOVTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24O/c1-2-22-14-15-25-21-32(28-9-4-3-8-27(28)31(25)20-22)24-18-16-23(17-19-24)26-11-7-12-30-29-10-5-6-13-33(29)35-34(26)30/h3-21H,2H2,1H3.
What are the key properties of 4-[4-(3-ethylphenanthren-9-yl)phenyl]dibenzofuran?
4-[4-(3-ethylphenanthren-9-yl)phenyl]dibenzofuran has a molecular weight of 448.57 g/mol, XLogP of 9.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-ethylphenanthren-9-yl)phenyl]dibenzofuran is sourced from PubChem (CID 87688509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).