2-[4-[5-(4-naphthalen-1-ylphenyl)furan-2-yl]phenyl]-1-benzofuran

C34H22O2 — CID 143851022

IUPAC2-[4-[5-(4-naphthalen-1-ylphenyl)furan-2-yl]phenyl]-1-benzofuran
SMILESc1ccc2oc(-c3ccc(-c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)o4)cc3)cc2c1
InChIInChI=1S/C34H22O2/c1-3-9-29-23(6-1)8-5-10-30(29)24-12-14-25(15-13-24)32-20-21-33(35-32)26-16-18-27(19-17-26)34-22-28-7-2-4-11-31(28)36-34/h1-22H
InChIKeyPEZPIGMWNQIJDL-UHFFFAOYSA-N
MW462.55 g/mol
LogP9.85
Rot. Bonds4

About 2-[4-[5-(4-naphthalen-1-ylphenyl)furan-2-yl]phenyl]-1-benzofuran

2-[4-[5-(4-naphthalen-1-ylphenyl)furan-2-yl]phenyl]-1-benzofuran (PubChem CID 143851022) has the molecular formula C34H22O2 and a molecular weight of 462.55 g/mol. Its IUPAC name is 2-[4-[5-(4-naphthalen-1-ylphenyl)furan-2-yl]phenyl]-1-benzofuran.

Molecular Properties

Compound Name2-[4-[5-(4-naphthalen-1-ylphenyl)furan-2-yl]phenyl]-1-benzofuran
PubChem CID143851022
Molecular FormulaC34H22O2
Molecular Weight462.55 g/mol
Exact Mass462.16
IUPAC Name2-[4-[5-(4-naphthalen-1-ylphenyl)furan-2-yl]phenyl]-1-benzofuran
SMILESc1ccc2oc(-c3ccc(-c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)o4)cc3)cc2c1
InChIInChI=1S/C34H22O2/c1-3-9-29-23(6-1)8-5-10-30(29)24-12-14-25(15-13-24)32-20-21-33(35-32)26-16-18-27(19-17-26)34-22-28-7-2-4-11-31(28)36-34/h1-22H
InChIKeyPEZPIGMWNQIJDL-UHFFFAOYSA-N
XLogP9.85
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(4-naphthalen-1-ylphenyl)furan-2-yl]phenyl]-1-benzofuran?
The IUPAC name of 2-[4-[5-(4-naphthalen-1-ylphenyl)furan-2-yl]phenyl]-1-benzofuran (CID 143851022) is 2-[4-[5-(4-naphthalen-1-ylphenyl)furan-2-yl]phenyl]-1-benzofuran.
What is the SMILES notation for 2-[4-[5-(4-naphthalen-1-ylphenyl)furan-2-yl]phenyl]-1-benzofuran?
The canonical SMILES for 2-[4-[5-(4-naphthalen-1-ylphenyl)furan-2-yl]phenyl]-1-benzofuran is c1ccc2oc(-c3ccc(-c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)o4)cc3)cc2c1.
What is the InChIKey of 2-[4-[5-(4-naphthalen-1-ylphenyl)furan-2-yl]phenyl]-1-benzofuran?
The InChIKey is PEZPIGMWNQIJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22O2/c1-3-9-29-23(6-1)8-5-10-30(29)24-12-14-25(15-13-24)32-20-21-33(35-32)26-16-18-27(19-17-26)34-22-28-7-2-4-11-31(28)36-34/h1-22H.
What are the key properties of 2-[4-[5-(4-naphthalen-1-ylphenyl)furan-2-yl]phenyl]-1-benzofuran?
2-[4-[5-(4-naphthalen-1-ylphenyl)furan-2-yl]phenyl]-1-benzofuran has a molecular weight of 462.55 g/mol, XLogP of 9.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(4-naphthalen-1-ylphenyl)furan-2-yl]phenyl]-1-benzofuran is sourced from PubChem (CID 143851022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).