1-chloro-2-(5-phenylnaphthalen-1-yl)dibenzofuran

C28H17ClO — CID 174263469

IUPAC1-chloro-2-(5-phenylnaphthalen-1-yl)dibenzofuran
SMILESClc1c(-c2cccc3c(-c4ccccc4)cccc23)ccc2oc3ccccc3c12
InChIInChI=1S/C28H17ClO/c29-28-23(16-17-26-27(28)24-10-4-5-15-25(24)30-26)22-14-7-12-20-19(11-6-13-21(20)22)18-8-2-1-3-9-18/h1-17H
InChIKeyVVGFPGBXZVLBLQ-UHFFFAOYSA-N
MW404.90 g/mol
LogP8.73
Rot. Bonds2

About 1-chloro-2-(5-phenylnaphthalen-1-yl)dibenzofuran

1-chloro-2-(5-phenylnaphthalen-1-yl)dibenzofuran (PubChem CID 174263469) has the molecular formula C28H17ClO and a molecular weight of 404.90 g/mol. Its IUPAC name is 1-chloro-2-(5-phenylnaphthalen-1-yl)dibenzofuran.

Molecular Properties

Compound Name1-chloro-2-(5-phenylnaphthalen-1-yl)dibenzofuran
PubChem CID174263469
Molecular FormulaC28H17ClO
Molecular Weight404.90 g/mol
Exact Mass404.10
IUPAC Name1-chloro-2-(5-phenylnaphthalen-1-yl)dibenzofuran
SMILESClc1c(-c2cccc3c(-c4ccccc4)cccc23)ccc2oc3ccccc3c12
InChIInChI=1S/C28H17ClO/c29-28-23(16-17-26-27(28)24-10-4-5-15-25(24)30-26)22-14-7-12-20-19(11-6-13-21(20)22)18-8-2-1-3-9-18/h1-17H
InChIKeyVVGFPGBXZVLBLQ-UHFFFAOYSA-N
XLogP8.73
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.90
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-2-(4-phenanthren-1-ylphenyl)dibenzofuran
CID 174263586
7-phenyl-15-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene
CID 122629554
2-chloro-4-dibenzofuran-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177278886
2-[4-(4-tert-butylphenyl)phenyl]-1-chlorodibenzofuran
CID 174263582
7-(6-phenylpyren-1-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 171575655
1-[3-(2-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran
CID 156553354
4-[4-[10-(4-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 154970869
1-iodo-2-phenyldibenzofuran
CID 166694702
1-(5-naphthalen-1-yl-8-phenylbenzo[10]annulen-12-yl)dibenzofuran
CID 171421142
2-phenyl-1-(6-phenylpyren-1-yl)dibenzofuran
CID 170658120
4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 176632187
1-[10-(4,5-dichloroanthracen-9-yl)anthracen-9-yl]-2-phenyldibenzofuran
CID 163589465

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(5-phenylnaphthalen-1-yl)dibenzofuran?
The IUPAC name of 1-chloro-2-(5-phenylnaphthalen-1-yl)dibenzofuran (CID 174263469) is 1-chloro-2-(5-phenylnaphthalen-1-yl)dibenzofuran.
What is the SMILES notation for 1-chloro-2-(5-phenylnaphthalen-1-yl)dibenzofuran?
The canonical SMILES for 1-chloro-2-(5-phenylnaphthalen-1-yl)dibenzofuran is Clc1c(-c2cccc3c(-c4ccccc4)cccc23)ccc2oc3ccccc3c12.
What is the InChIKey of 1-chloro-2-(5-phenylnaphthalen-1-yl)dibenzofuran?
The InChIKey is VVGFPGBXZVLBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17ClO/c29-28-23(16-17-26-27(28)24-10-4-5-15-25(24)30-26)22-14-7-12-20-19(11-6-13-21(20)22)18-8-2-1-3-9-18/h1-17H.
What are the key properties of 1-chloro-2-(5-phenylnaphthalen-1-yl)dibenzofuran?
1-chloro-2-(5-phenylnaphthalen-1-yl)dibenzofuran has a molecular weight of 404.90 g/mol, XLogP of 8.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(5-phenylnaphthalen-1-yl)dibenzofuran is sourced from PubChem (CID 174263469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).