2-[4-(4-tert-butylphenyl)phenyl]-1-chlorodibenzofuran

C28H23ClO — CID 174263582

IUPAC2-[4-(4-tert-butylphenyl)phenyl]-1-chlorodibenzofuran
SMILESCC(C)(C)c1ccc(-c2ccc(-c3ccc4oc5ccccc5c4c3Cl)cc2)cc1
InChIInChI=1S/C28H23ClO/c1-28(2,3)21-14-12-19(13-15-21)18-8-10-20(11-9-18)22-16-17-25-26(27(22)29)23-6-4-5-7-24(23)30-25/h4-17H,1-3H3
InChIKeyWCUKEHDRUYNGND-UHFFFAOYSA-N
MW410.94 g/mol
LogP8.87
Rot. Bonds2

About 2-[4-(4-tert-butylphenyl)phenyl]-1-chlorodibenzofuran

2-[4-(4-tert-butylphenyl)phenyl]-1-chlorodibenzofuran (PubChem CID 174263582) has the molecular formula C28H23ClO and a molecular weight of 410.94 g/mol. Its IUPAC name is 2-[4-(4-tert-butylphenyl)phenyl]-1-chlorodibenzofuran.

Molecular Properties

Compound Name2-[4-(4-tert-butylphenyl)phenyl]-1-chlorodibenzofuran
PubChem CID174263582
Molecular FormulaC28H23ClO
Molecular Weight410.94 g/mol
Exact Mass410.14
IUPAC Name2-[4-(4-tert-butylphenyl)phenyl]-1-chlorodibenzofuran
SMILESCC(C)(C)c1ccc(-c2ccc(-c3ccc4oc5ccccc5c4c3Cl)cc2)cc1
InChIInChI=1S/C28H23ClO/c1-28(2,3)21-14-12-19(13-15-21)18-8-10-20(11-9-18)22-16-17-25-26(27(22)29)23-6-4-5-7-24(23)30-25/h4-17H,1-3H3
InChIKeyWCUKEHDRUYNGND-UHFFFAOYSA-N
XLogP8.87
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.94
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-2-(4-phenanthren-1-ylphenyl)dibenzofuran
CID 174263586
1-chloro-2-(5-phenylnaphthalen-1-yl)dibenzofuran
CID 174263469
1,4-bis(4-tert-butylphenyl)naphthalene
CID 123481845
2-(4-tert-butylphenyl)-12-(2-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 171053112
6-(4-tert-butylphenyl)-1-chlorodibenzofuran
CID 176607720
2-(6-tert-butyl-11-dibenzofuran-2-yltriphenylen-2-yl)dibenzofuran
CID 144568487
11-(4-tert-butylphenyl)-4,18-di(dibenzofuran-1-yl)-8,14-bis[2-(4-phenylphenyl)dibenzofuran-1-yl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 177067528
12-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[3,2-a]carbazole
CID 167259628
N-(4-tert-butylphenyl)-N-(4-dibenzofuran-2-ylphenyl)phenanthren-2-amine
CID 121327873
1-tert-butyldibenzofuran
CID 59078665
1-(4-tert-butylphenyl)-2-chloro-4-phenylbenzene
CID 176866089
1-iodo-2-phenyldibenzofuran
CID 166694702

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butylphenyl)phenyl]-1-chlorodibenzofuran?
The IUPAC name of 2-[4-(4-tert-butylphenyl)phenyl]-1-chlorodibenzofuran (CID 174263582) is 2-[4-(4-tert-butylphenyl)phenyl]-1-chlorodibenzofuran.
What is the SMILES notation for 2-[4-(4-tert-butylphenyl)phenyl]-1-chlorodibenzofuran?
The canonical SMILES for 2-[4-(4-tert-butylphenyl)phenyl]-1-chlorodibenzofuran is CC(C)(C)c1ccc(-c2ccc(-c3ccc4oc5ccccc5c4c3Cl)cc2)cc1.
What is the InChIKey of 2-[4-(4-tert-butylphenyl)phenyl]-1-chlorodibenzofuran?
The InChIKey is WCUKEHDRUYNGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClO/c1-28(2,3)21-14-12-19(13-15-21)18-8-10-20(11-9-18)22-16-17-25-26(27(22)29)23-6-4-5-7-24(23)30-25/h4-17H,1-3H3.
What are the key properties of 2-[4-(4-tert-butylphenyl)phenyl]-1-chlorodibenzofuran?
2-[4-(4-tert-butylphenyl)phenyl]-1-chlorodibenzofuran has a molecular weight of 410.94 g/mol, XLogP of 8.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-tert-butylphenyl)phenyl]-1-chlorodibenzofuran is sourced from PubChem (CID 174263582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).