4-(3-bromonaphthalen-2-yl)-6-phenyldibenzofuran

C28H17BrO — CID 118616510

IUPAC4-(3-bromonaphthalen-2-yl)-6-phenyldibenzofuran
SMILESBrc1cc2ccccc2cc1-c1cccc2c1oc1c(-c3ccccc3)cccc12
InChIInChI=1S/C28H17BrO/c29-26-17-20-11-5-4-10-19(20)16-25(26)24-15-7-14-23-22-13-6-12-21(27(22)30-28(23)24)18-8-2-1-3-9-18/h1-17H
InChIKeyQDIORKUHHNISLX-UHFFFAOYSA-N
MW449.35 g/mol
LogP8.84
Rot. Bonds2

About 4-(3-bromonaphthalen-2-yl)-6-phenyldibenzofuran

4-(3-bromonaphthalen-2-yl)-6-phenyldibenzofuran (PubChem CID 118616510) has the molecular formula C28H17BrO and a molecular weight of 449.35 g/mol. Its IUPAC name is 4-(3-bromonaphthalen-2-yl)-6-phenyldibenzofuran.

Molecular Properties

Compound Name4-(3-bromonaphthalen-2-yl)-6-phenyldibenzofuran
PubChem CID118616510
Molecular FormulaC28H17BrO
Molecular Weight449.35 g/mol
Exact Mass448.05
IUPAC Name4-(3-bromonaphthalen-2-yl)-6-phenyldibenzofuran
SMILESBrc1cc2ccccc2cc1-c1cccc2c1oc1c(-c3ccccc3)cccc12
InChIInChI=1S/C28H17BrO/c29-26-17-20-11-5-4-10-19(20)16-25(26)24-15-7-14-23-22-13-6-12-21(27(22)30-28(23)24)18-8-2-1-3-9-18/h1-17H
InChIKeyQDIORKUHHNISLX-UHFFFAOYSA-N
XLogP8.84
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.35
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran
CID 158212345
2-phenyl-4,6-bis[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 139549183
4-phenyl-6-[7-(6-phenylnaphthalen-2-yl)pyren-2-yl]dibenzofuran
CID 174253549
10-(3-bromo-5-phenylphenyl)naphtho[1,2-b][1]benzofuran
CID 118616537
4-(4-phenylphenyl)-6-triphenylen-2-yldibenzofuran
CID 118651099
2,6-diphenyl-4-[4-(6-phenyldibenzofuran-4-yl)phenyl]pyridine
CID 171761157
2-(6-naphthalen-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953235
2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran
CID 155334995
2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 164797297
2,4-diphenyl-6-[6-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 171414948
6-chloro-10-phenylnaphtho[1,2-b][1]benzofuran
CID 176775460
2-phenyl-4-(3-phenylphenyl)-6-[4-[6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 177144922

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromonaphthalen-2-yl)-6-phenyldibenzofuran?
The IUPAC name of 4-(3-bromonaphthalen-2-yl)-6-phenyldibenzofuran (CID 118616510) is 4-(3-bromonaphthalen-2-yl)-6-phenyldibenzofuran.
What is the SMILES notation for 4-(3-bromonaphthalen-2-yl)-6-phenyldibenzofuran?
The canonical SMILES for 4-(3-bromonaphthalen-2-yl)-6-phenyldibenzofuran is Brc1cc2ccccc2cc1-c1cccc2c1oc1c(-c3ccccc3)cccc12.
What is the InChIKey of 4-(3-bromonaphthalen-2-yl)-6-phenyldibenzofuran?
The InChIKey is QDIORKUHHNISLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17BrO/c29-26-17-20-11-5-4-10-19(20)16-25(26)24-15-7-14-23-22-13-6-12-21(27(22)30-28(23)24)18-8-2-1-3-9-18/h1-17H.
What are the key properties of 4-(3-bromonaphthalen-2-yl)-6-phenyldibenzofuran?
4-(3-bromonaphthalen-2-yl)-6-phenyldibenzofuran has a molecular weight of 449.35 g/mol, XLogP of 8.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromonaphthalen-2-yl)-6-phenyldibenzofuran is sourced from PubChem (CID 118616510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).