10-(4-bromonaphthalen-1-yl)naphtho[1,2-b][1]benzofuran

C26H15BrO — CID 118616472

IUPAC10-(4-bromonaphthalen-1-yl)naphtho[1,2-b][1]benzofuran
SMILESBrc1ccc(-c2cccc3c2oc2c4ccccc4ccc32)c2ccccc12
InChIInChI=1S/C26H15BrO/c27-24-15-14-19(18-8-3-4-9-20(18)24)21-10-5-11-22-23-13-12-16-6-1-2-7-17(16)25(23)28-26(21)22/h1-15H
InChIKeyJTQHWBGHTMGXIK-UHFFFAOYSA-N
MW423.31 g/mol
LogP8.32
Rot. Bonds1

About 10-(4-bromonaphthalen-1-yl)naphtho[1,2-b][1]benzofuran

10-(4-bromonaphthalen-1-yl)naphtho[1,2-b][1]benzofuran (PubChem CID 118616472) has the molecular formula C26H15BrO and a molecular weight of 423.31 g/mol. Its IUPAC name is 10-(4-bromonaphthalen-1-yl)naphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name10-(4-bromonaphthalen-1-yl)naphtho[1,2-b][1]benzofuran
PubChem CID118616472
Molecular FormulaC26H15BrO
Molecular Weight423.31 g/mol
Exact Mass422.03
IUPAC Name10-(4-bromonaphthalen-1-yl)naphtho[1,2-b][1]benzofuran
SMILESBrc1ccc(-c2cccc3c2oc2c4ccccc4ccc32)c2ccccc12
InChIInChI=1S/C26H15BrO/c27-24-15-14-19(18-8-3-4-9-20(18)24)21-10-5-11-22-23-13-12-16-6-1-2-7-17(16)25(23)28-26(21)22/h1-15H
InChIKeyJTQHWBGHTMGXIK-UHFFFAOYSA-N
XLogP8.32
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.31
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

10-(3-bromo-5-phenylphenyl)naphtho[1,2-b][1]benzofuran
CID 118616537
7-pyren-1-yl-10-(4-pyren-1-ylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran
CID 170939904
4-bromo-6-fluoranthen-3-yldibenzofuran
CID 129100187
1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene
CID 4530279
1-bromo-6-naphthalen-1-yldibenzofuran
CID 134401872
10-methylnaphtho[1,2-b][1]benzofuran
CID 58510874
8,10-bis(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran
CID 170940136
4-(3-bromonaphthalen-2-yl)-6-phenyldibenzofuran
CID 118616510
4-phenyl-10-pyren-1-yl-7-(4-pyren-1-ylphenyl)naphtho[1,2-b][1]benzofuran
CID 170940335
3,9-di(pyren-1-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 170940079
10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 135183312
4-bromo-6-dibenzofuran-4-yldibenzofuran
CID 147905511

Frequently Asked Questions

What is the IUPAC name of 10-(4-bromonaphthalen-1-yl)naphtho[1,2-b][1]benzofuran?
The IUPAC name of 10-(4-bromonaphthalen-1-yl)naphtho[1,2-b][1]benzofuran (CID 118616472) is 10-(4-bromonaphthalen-1-yl)naphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 10-(4-bromonaphthalen-1-yl)naphtho[1,2-b][1]benzofuran?
The canonical SMILES for 10-(4-bromonaphthalen-1-yl)naphtho[1,2-b][1]benzofuran is Brc1ccc(-c2cccc3c2oc2c4ccccc4ccc32)c2ccccc12.
What is the InChIKey of 10-(4-bromonaphthalen-1-yl)naphtho[1,2-b][1]benzofuran?
The InChIKey is JTQHWBGHTMGXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15BrO/c27-24-15-14-19(18-8-3-4-9-20(18)24)21-10-5-11-22-23-13-12-16-6-1-2-7-17(16)25(23)28-26(21)22/h1-15H.
What are the key properties of 10-(4-bromonaphthalen-1-yl)naphtho[1,2-b][1]benzofuran?
10-(4-bromonaphthalen-1-yl)naphtho[1,2-b][1]benzofuran has a molecular weight of 423.31 g/mol, XLogP of 8.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-bromonaphthalen-1-yl)naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 118616472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).