1,3,5,6-tetraphenyl-2-benzofuran

C32H22O — CID 22457278

IUPAC1,3,5,6-tetraphenyl-2-benzofuran
SMILESc1ccc(-c2cc3c(-c4ccccc4)oc(-c4ccccc4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C32H22O/c1-5-13-23(14-6-1)27-21-29-30(22-28(27)24-15-7-2-8-16-24)32(26-19-11-4-12-20-26)33-31(29)25-17-9-3-10-18-25/h1-22H
InChIKeyXEPLAIYZZPDJQT-UHFFFAOYSA-N
MW422.53 g/mol
LogP9.10
Rot. Bonds4

About 1,3,5,6-tetraphenyl-2-benzofuran

1,3,5,6-tetraphenyl-2-benzofuran (PubChem CID 22457278) has the molecular formula C32H22O and a molecular weight of 422.53 g/mol. Its IUPAC name is 1,3,5,6-tetraphenyl-2-benzofuran.

Molecular Properties

Compound Name1,3,5,6-tetraphenyl-2-benzofuran
PubChem CID22457278
Molecular FormulaC32H22O
Molecular Weight422.53 g/mol
Exact Mass422.17
IUPAC Name1,3,5,6-tetraphenyl-2-benzofuran
SMILESc1ccc(-c2cc3c(-c4ccccc4)oc(-c4ccccc4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C32H22O/c1-5-13-23(14-6-1)27-21-29-30(22-28(27)24-15-7-2-8-16-24)32(26-19-11-4-12-20-26)33-31(29)25-17-9-3-10-18-25/h1-22H
InChIKeyXEPLAIYZZPDJQT-UHFFFAOYSA-N
XLogP9.10
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzo(b)naphtho(2,3-d)furan
CID 71072
Benzofurans
CID 253613
Dibenzofuran, 4-methyl-
CID 43489
1,3-Diphenylisobenzofuran
CID 21649
Tetraphenylfuran
CID 223858
Benzo(b)naphtho(1,2-d)furan
CID 268932
4-((4''-(2-Benzylbenzofuran-3-yl)biphenyl-4-yloxy)methyl)benzoic acid
CID 10529709
4'-(2-Benzyl-benzofuran-3-yl)-biphenyl-4-ol
CID 10547545
2-Benzofuran-2-yl-phenanthrene-9,10-dione
CID 10805901
2,4,6-Triphenylpyrylium
CID 73876
Pyreno(2,1-b)furan
CID 160333
Dinaphtho(1,2-b:1',2'-d)furan
CID 622697

Frequently Asked Questions

What is the IUPAC name of 1,3,5,6-tetraphenyl-2-benzofuran?
The IUPAC name of 1,3,5,6-tetraphenyl-2-benzofuran (CID 22457278) is 1,3,5,6-tetraphenyl-2-benzofuran.
What is the SMILES notation for 1,3,5,6-tetraphenyl-2-benzofuran?
The canonical SMILES for 1,3,5,6-tetraphenyl-2-benzofuran is c1ccc(-c2cc3c(-c4ccccc4)oc(-c4ccccc4)c3cc2-c2ccccc2)cc1.
What is the InChIKey of 1,3,5,6-tetraphenyl-2-benzofuran?
The InChIKey is XEPLAIYZZPDJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22O/c1-5-13-23(14-6-1)27-21-29-30(22-28(27)24-15-7-2-8-16-24)32(26-19-11-4-12-20-26)33-31(29)25-17-9-3-10-18-25/h1-22H.
What are the key properties of 1,3,5,6-tetraphenyl-2-benzofuran?
1,3,5,6-tetraphenyl-2-benzofuran has a molecular weight of 422.53 g/mol, XLogP of 9.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,6-tetraphenyl-2-benzofuran is sourced from PubChem (CID 22457278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).