2-pyren-1-yl-1-benzofuran

C24H14O — CID 59390386

IUPAC2-pyren-1-yl-1-benzofuran
SMILESc1ccc2oc(-c3ccc4ccc5cccc6ccc3c4c56)cc2c1
InChIInChI=1S/C24H14O/c1-2-7-21-18(4-1)14-22(25-21)19-12-10-17-9-8-15-5-3-6-16-11-13-20(19)24(17)23(15)16/h1-14H
InChIKeyPUJZQRWORNKLOU-UHFFFAOYSA-N
MW318.38 g/mol
LogP7.00
Rot. Bonds1

About 2-pyren-1-yl-1-benzofuran

2-pyren-1-yl-1-benzofuran (PubChem CID 59390386) has the molecular formula C24H14O and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-pyren-1-yl-1-benzofuran.

Molecular Properties

Compound Name2-pyren-1-yl-1-benzofuran
PubChem CID59390386
Molecular FormulaC24H14O
Molecular Weight318.38 g/mol
Exact Mass318.10
IUPAC Name2-pyren-1-yl-1-benzofuran
SMILESc1ccc2oc(-c3ccc4ccc5cccc6ccc3c4c56)cc2c1
InChIInChI=1S/C24H14O/c1-2-7-21-18(4-1)14-22(25-21)19-12-10-17-9-8-15-5-3-6-16-11-13-20(19)24(17)23(15)16/h1-14H
InChIKeyPUJZQRWORNKLOU-UHFFFAOYSA-N
XLogP7.00
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.38
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[6-(1-benzofuran-2-yl)pyren-2-yl]-1-methylindole
CID 59390322
4-[3-(1-benzofuran-2-yl)-8-quinolin-4-ylpyren-1-yl]quinoline
CID 59390459
1,8-di(pyren-1-yl)pyrene
CID 58915622
2-[3,6-bis(1-benzofuran-2-yl)-8-(4-methylphenyl)pyren-1-yl]-1-benzofuran
CID 145470072
2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran
CID 67296045
2-[6-(1-benzofuran-2-yl)-3,8-bis(4-methoxyphenyl)pyren-1-yl]-1-benzofuran
CID 59390327
2-[3,6,8-tris(4-tert-butylphenyl)pyren-1-yl]-1-benzofuran
CID 59390421
2-pyren-1-ylbenzo[e][1,3]benzoxazole
CID 71545071
2-[7-(1-benzofuran-2-yl)benzo[a]anthracen-12-yl]-1-benzofuran
CID 59601077
1-pyren-4-ylpyrene
CID 71343129
methyl 2-(1-benzofuran-2-yl)naphthalene-1-carboxylate
CID 71059270
1-phenyl-8-pyren-1-yldibenzofuran
CID 170658138

Frequently Asked Questions

What is the IUPAC name of 2-pyren-1-yl-1-benzofuran?
The IUPAC name of 2-pyren-1-yl-1-benzofuran (CID 59390386) is 2-pyren-1-yl-1-benzofuran.
What is the SMILES notation for 2-pyren-1-yl-1-benzofuran?
The canonical SMILES for 2-pyren-1-yl-1-benzofuran is c1ccc2oc(-c3ccc4ccc5cccc6ccc3c4c56)cc2c1.
What is the InChIKey of 2-pyren-1-yl-1-benzofuran?
The InChIKey is PUJZQRWORNKLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14O/c1-2-7-21-18(4-1)14-22(25-21)19-12-10-17-9-8-15-5-3-6-16-11-13-20(19)24(17)23(15)16/h1-14H.
What are the key properties of 2-pyren-1-yl-1-benzofuran?
2-pyren-1-yl-1-benzofuran has a molecular weight of 318.38 g/mol, XLogP of 7.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyren-1-yl-1-benzofuran is sourced from PubChem (CID 59390386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).