1-(2-phenyl-1-benzofuran-3-yl)-3-(2-phenylphenyl)-2-benzofuran

C34H22O2 — CID 156552693

IUPAC1-(2-phenyl-1-benzofuran-3-yl)-3-(2-phenylphenyl)-2-benzofuran
SMILESc1ccc(-c2ccccc2-c2oc(-c3c(-c4ccccc4)oc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C34H22O2/c1-3-13-23(14-4-1)25-17-7-8-18-26(25)33-27-19-9-10-20-28(27)34(36-33)31-29-21-11-12-22-30(29)35-32(31)24-15-5-2-6-16-24/h1-22H
InChIKeyHJONSUSBJULZDP-UHFFFAOYSA-N
MW462.55 g/mol
LogP9.85
Rot. Bonds4

About 1-(2-phenyl-1-benzofuran-3-yl)-3-(2-phenylphenyl)-2-benzofuran

1-(2-phenyl-1-benzofuran-3-yl)-3-(2-phenylphenyl)-2-benzofuran (PubChem CID 156552693) has the molecular formula C34H22O2 and a molecular weight of 462.55 g/mol. Its IUPAC name is 1-(2-phenyl-1-benzofuran-3-yl)-3-(2-phenylphenyl)-2-benzofuran.

Molecular Properties

Compound Name1-(2-phenyl-1-benzofuran-3-yl)-3-(2-phenylphenyl)-2-benzofuran
PubChem CID156552693
Molecular FormulaC34H22O2
Molecular Weight462.55 g/mol
Exact Mass462.16
IUPAC Name1-(2-phenyl-1-benzofuran-3-yl)-3-(2-phenylphenyl)-2-benzofuran
SMILESc1ccc(-c2ccccc2-c2oc(-c3c(-c4ccccc4)oc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C34H22O2/c1-3-13-23(14-4-1)25-17-7-8-18-26(25)33-27-19-9-10-20-28(27)34(36-33)31-29-21-11-12-22-30(29)35-32(31)24-15-5-2-6-16-24/h1-22H
InChIKeyHJONSUSBJULZDP-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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Related Compounds

1-(2,6-diphenylphenyl)-3-(2-phenylphenyl)-2-benzofuran
CID 156553154
1-[3-(2-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran
CID 156553354
2-phenyl-1-[3-(2-phenylphenyl)-2-benzofuran-1-yl]indolizine
CID 156552702
2-(2-phenyl-1-benzofuran-3-yl)benzonitrile
CID 154714478
2-phenyl-1-(3-phenyl-2-benzofuran-1-yl)dibenzofuran
CID 156552811
2,3-diphenyl-1-benzofuran;2-hydroxyacetic acid
CID 70599531
1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzofuran
CID 156552692
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1-benzofuran
CID 121336223
N,2-diphenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]aniline
CID 170400224
1-(3-phenyldibenzothiophen-4-yl)-3-(2-phenylphenyl)-2-benzofuran
CID 156552681
2-[3-(2-phenylphenyl)-2-benzofuran-1-yl]pyridine
CID 156552730
1-phenanthren-4-yl-3-(2-phenylphenyl)-2-benzofuran
CID 156553333

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-1-benzofuran-3-yl)-3-(2-phenylphenyl)-2-benzofuran?
The IUPAC name of 1-(2-phenyl-1-benzofuran-3-yl)-3-(2-phenylphenyl)-2-benzofuran (CID 156552693) is 1-(2-phenyl-1-benzofuran-3-yl)-3-(2-phenylphenyl)-2-benzofuran.
What is the SMILES notation for 1-(2-phenyl-1-benzofuran-3-yl)-3-(2-phenylphenyl)-2-benzofuran?
The canonical SMILES for 1-(2-phenyl-1-benzofuran-3-yl)-3-(2-phenylphenyl)-2-benzofuran is c1ccc(-c2ccccc2-c2oc(-c3c(-c4ccccc4)oc4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 1-(2-phenyl-1-benzofuran-3-yl)-3-(2-phenylphenyl)-2-benzofuran?
The InChIKey is HJONSUSBJULZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22O2/c1-3-13-23(14-4-1)25-17-7-8-18-26(25)33-27-19-9-10-20-28(27)34(36-33)31-29-21-11-12-22-30(29)35-32(31)24-15-5-2-6-16-24/h1-22H.
What are the key properties of 1-(2-phenyl-1-benzofuran-3-yl)-3-(2-phenylphenyl)-2-benzofuran?
1-(2-phenyl-1-benzofuran-3-yl)-3-(2-phenylphenyl)-2-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 1-(2-phenyl-1-benzofuran-3-yl)-3-(2-phenylphenyl)-2-benzofuran is sourced from PubChem (CID 156552693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).