10-(3-bromo-5-phenylphenyl)naphtho[1,2-b][1]benzofuran

C28H17BrO — CID 118616537

IUPAC10-(3-bromo-5-phenylphenyl)naphtho[1,2-b][1]benzofuran
SMILESBrc1cc(-c2ccccc2)cc(-c2cccc3c2oc2c4ccccc4ccc32)c1
InChIInChI=1S/C28H17BrO/c29-22-16-20(18-7-2-1-3-8-18)15-21(17-22)24-11-6-12-25-26-14-13-19-9-4-5-10-23(19)27(26)30-28(24)25/h1-17H
InChIKeyLFZFUOILXXFZPC-UHFFFAOYSA-N
MW449.35 g/mol
LogP8.84
Rot. Bonds2

About 10-(3-bromo-5-phenylphenyl)naphtho[1,2-b][1]benzofuran

10-(3-bromo-5-phenylphenyl)naphtho[1,2-b][1]benzofuran (PubChem CID 118616537) has the molecular formula C28H17BrO and a molecular weight of 449.35 g/mol. Its IUPAC name is 10-(3-bromo-5-phenylphenyl)naphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name10-(3-bromo-5-phenylphenyl)naphtho[1,2-b][1]benzofuran
PubChem CID118616537
Molecular FormulaC28H17BrO
Molecular Weight449.35 g/mol
Exact Mass448.05
IUPAC Name10-(3-bromo-5-phenylphenyl)naphtho[1,2-b][1]benzofuran
SMILESBrc1cc(-c2ccccc2)cc(-c2cccc3c2oc2c4ccccc4ccc32)c1
InChIInChI=1S/C28H17BrO/c29-22-16-20(18-7-2-1-3-8-18)15-21(17-22)24-11-6-12-25-26-14-13-19-9-4-5-10-23(19)27(26)30-28(24)25/h1-17H
InChIKeyLFZFUOILXXFZPC-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-[3-bromo-5-(3,5-diphenylphenyl)phenyl]dibenzofuran
CID 142380750
1-(3-bromo-5-phenylphenyl)naphthalene
CID 67301635
4-(3-phenanthro[1,2-b][1]benzofuran-10-yl-5-phenylphenyl)-2,6-diphenylpyrimidine
CID 171583610
4-[3-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 142294020
N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3-(3-phenylphenyl)aniline
CID 170272186
10-(3-bromo-5-phenylphenyl)naphtho[1,2-b][1]benzothiole
CID 118616658
4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane
CID 142380453
2-(3-bromo-5-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 142752625
10-[3-[3-[(4-phenylphenyl)methyl]phenyl]phenyl]naphtho[1,2-b][1]benzofuran;toluene
CID 142294282
4-phenyl-6-[7-(6-phenylnaphthalen-2-yl)pyren-2-yl]dibenzofuran
CID 174253549
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
10-(4-bromonaphthalen-1-yl)naphtho[1,2-b][1]benzofuran
CID 118616472

Frequently Asked Questions

What is the IUPAC name of 10-(3-bromo-5-phenylphenyl)naphtho[1,2-b][1]benzofuran?
The IUPAC name of 10-(3-bromo-5-phenylphenyl)naphtho[1,2-b][1]benzofuran (CID 118616537) is 10-(3-bromo-5-phenylphenyl)naphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 10-(3-bromo-5-phenylphenyl)naphtho[1,2-b][1]benzofuran?
The canonical SMILES for 10-(3-bromo-5-phenylphenyl)naphtho[1,2-b][1]benzofuran is Brc1cc(-c2ccccc2)cc(-c2cccc3c2oc2c4ccccc4ccc32)c1.
What is the InChIKey of 10-(3-bromo-5-phenylphenyl)naphtho[1,2-b][1]benzofuran?
The InChIKey is LFZFUOILXXFZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17BrO/c29-22-16-20(18-7-2-1-3-8-18)15-21(17-22)24-11-6-12-25-26-14-13-19-9-4-5-10-23(19)27(26)30-28(24)25/h1-17H.
What are the key properties of 10-(3-bromo-5-phenylphenyl)naphtho[1,2-b][1]benzofuran?
10-(3-bromo-5-phenylphenyl)naphtho[1,2-b][1]benzofuran 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 10-(3-bromo-5-phenylphenyl)naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 118616537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).