8-(1-adamantyl)-1-(4-chlorophenyl)dibenzofuran

C28H25ClO — CID 171722121

IUPAC8-(1-adamantyl)-1-(4-chlorophenyl)dibenzofuran
SMILESClc1ccc(-c2cccc3oc4ccc(C56CC7CC(CC(C7)C5)C6)cc4c23)cc1
InChIInChI=1S/C28H25ClO/c29-22-7-4-20(5-8-22)23-2-1-3-26-27(23)24-13-21(6-9-25(24)30-26)28-14-17-10-18(15-28)12-19(11-17)16-28/h1-9,13,17-19H,10-12,14-16H2
InChIKeyYNSYCZGXICVYGG-UHFFFAOYSA-N
MW412.96 g/mol
LogP8.37
Rot. Bonds2

About 8-(1-adamantyl)-1-(4-chlorophenyl)dibenzofuran

8-(1-adamantyl)-1-(4-chlorophenyl)dibenzofuran (PubChem CID 171722121) has the molecular formula C28H25ClO and a molecular weight of 412.96 g/mol. Its IUPAC name is 8-(1-adamantyl)-1-(4-chlorophenyl)dibenzofuran.

Molecular Properties

Compound Name8-(1-adamantyl)-1-(4-chlorophenyl)dibenzofuran
PubChem CID171722121
Molecular FormulaC28H25ClO
Molecular Weight412.96 g/mol
Exact Mass412.16
IUPAC Name8-(1-adamantyl)-1-(4-chlorophenyl)dibenzofuran
SMILESClc1ccc(-c2cccc3oc4ccc(C56CC7CC(CC(C7)C5)C6)cc4c23)cc1
InChIInChI=1S/C28H25ClO/c29-22-7-4-20(5-8-22)23-2-1-3-26-27(23)24-13-21(6-9-25(24)30-26)28-14-17-10-18(15-28)12-19(11-17)16-28/h1-9,13,17-19H,10-12,14-16H2
InChIKeyYNSYCZGXICVYGG-UHFFFAOYSA-N
XLogP8.37
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.96
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(1-adamantyl)phenyl]-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164798019
4-[4-(1-adamantyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028585
2-[4-(1-adamantyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 177112962
N-[8-[4-(1-adamantyl)phenyl]dibenzofuran-1-yl]-9-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine
CID 176759710
4-[4-[4-(1-adamantyl)phenyl]phenyl]-6-dibenzofuran-1-yl-2-dibenzofuran-3-ylpyrimidine
CID 169054834
2-[4-[4-(1-adamantyl)phenyl]naphthalen-1-yl]-4-dibenzofuran-1-yl-6-(4-fluorophenyl)-1,3,5-triazine
CID 169054912
N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 169028650
1-(4-chlorophenyl)dibenzofuran;4-dibenzofuran-1-ylaniline
CID 167537928
8-chloro-1-dibenzofuran-1-yldibenzofuran
CID 174292650
1-(4-chlorophenyl)xanthen-9-one
CID 168812432
N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028672
1-N-[4-(1-adamantyl)phenyl]-3-N-dibenzofuran-3-yl-3-N-phenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155421754

Frequently Asked Questions

What is the IUPAC name of 8-(1-adamantyl)-1-(4-chlorophenyl)dibenzofuran?
The IUPAC name of 8-(1-adamantyl)-1-(4-chlorophenyl)dibenzofuran (CID 171722121) is 8-(1-adamantyl)-1-(4-chlorophenyl)dibenzofuran.
What is the SMILES notation for 8-(1-adamantyl)-1-(4-chlorophenyl)dibenzofuran?
The canonical SMILES for 8-(1-adamantyl)-1-(4-chlorophenyl)dibenzofuran is Clc1ccc(-c2cccc3oc4ccc(C56CC7CC(CC(C7)C5)C6)cc4c23)cc1.
What is the InChIKey of 8-(1-adamantyl)-1-(4-chlorophenyl)dibenzofuran?
The InChIKey is YNSYCZGXICVYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClO/c29-22-7-4-20(5-8-22)23-2-1-3-26-27(23)24-13-21(6-9-25(24)30-26)28-14-17-10-18(15-28)12-19(11-17)16-28/h1-9,13,17-19H,10-12,14-16H2.
What are the key properties of 8-(1-adamantyl)-1-(4-chlorophenyl)dibenzofuran?
8-(1-adamantyl)-1-(4-chlorophenyl)dibenzofuran has a molecular weight of 412.96 g/mol, XLogP of 8.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-adamantyl)-1-(4-chlorophenyl)dibenzofuran is sourced from PubChem (CID 171722121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).