1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran

C44H30O — CID 156553370

IUPAC1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran
SMILESc1ccc(-c2cccc(-c3oc(-c4c(-c5ccccc5)cc(-c5ccccc5)cc4-c4ccccc4)c4ccccc34)c2)cc1
InChIInChI=1S/C44H30O/c1-5-16-31(17-6-1)35-24-15-25-36(28-35)43-38-26-13-14-27-39(38)44(45-43)42-40(33-20-9-3-10-21-33)29-37(32-18-7-2-8-19-32)30-41(42)34-22-11-4-12-23-34/h1-30H
InChIKeyVLLKNOYAIDKISZ-UHFFFAOYSA-N
MW574.72 g/mol
LogP12.43
Rot. Bonds6

About 1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran

1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran (PubChem CID 156553370) has the molecular formula C44H30O and a molecular weight of 574.72 g/mol. Its IUPAC name is 1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran.

Molecular Properties

Compound Name1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran
PubChem CID156553370
Molecular FormulaC44H30O
Molecular Weight574.72 g/mol
Exact Mass574.23
IUPAC Name1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran
SMILESc1ccc(-c2cccc(-c3oc(-c4c(-c5ccccc5)cc(-c5ccccc5)cc4-c4ccccc4)c4ccccc34)c2)cc1
InChIInChI=1S/C44H30O/c1-5-16-31(17-6-1)35-24-15-25-36(28-35)43-38-26-13-14-27-39(38)44(45-43)42-40(33-20-9-3-10-21-33)29-37(32-18-7-2-8-19-32)30-41(42)34-22-11-4-12-23-34/h1-30H
InChIKeyVLLKNOYAIDKISZ-UHFFFAOYSA-N
XLogP12.43
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.72
LogP ≤ 512.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butyl-2,6-diphenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(5-tert-butyl-2-phenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(3-phenylphenyl)-3-triphenylen-1-yl-2-benzofuran;1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran
CID 158996284
9-[3-phenyl-2-[3-(3-phenylphenyl)-2-benzofuran-1-yl]phenyl]carbazole
CID 156553374
3-phenyl-2-[3-(3-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran
CID 156553274
1-(2,3-diphenylphenyl)-3-phenyl-2-benzofuran;1-(2,4-diphenylphenyl)-3-phenyl-2-benzofuran;1-(2,5-diphenylphenyl)-3-phenyl-2-benzofuran;1-(2,6-diphenylphenyl)-3-phenyl-2-benzofuran;1-phenyl-3-(2-phenylphenyl)-2-benzofuran
CID 162013134
1-(2,6-diphenylphenyl)-3-(2-phenylphenyl)-2-benzofuran
CID 156553154
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
9-(3,4-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706349
1,3,5,6-tetraphenyl-2-benzofuran
CID 22457278
9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 59398961
2,4-di(dibenzofuran-4-yl)-6-[2,4-diphenyl-6-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 167348909
9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 155648463
1-phenyl-3-(3-phenylphenyl)-5-[2-phenyl-5-(3-phenylphenyl)phenyl]benzene
CID 143438062

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran?
The IUPAC name of 1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran (CID 156553370) is 1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran.
What is the SMILES notation for 1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran?
The canonical SMILES for 1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran is c1ccc(-c2cccc(-c3oc(-c4c(-c5ccccc5)cc(-c5ccccc5)cc4-c4ccccc4)c4ccccc34)c2)cc1.
What is the InChIKey of 1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran?
The InChIKey is VLLKNOYAIDKISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30O/c1-5-16-31(17-6-1)35-24-15-25-36(28-35)43-38-26-13-14-27-39(38)44(45-43)42-40(33-20-9-3-10-21-33)29-37(32-18-7-2-8-19-32)30-41(42)34-22-11-4-12-23-34/h1-30H.
What are the key properties of 1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran?
1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran has a molecular weight of 574.72 g/mol, XLogP of 12.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran is sourced from PubChem (CID 156553370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).