7-[10-(2,3-diphenyl-1-benzofuran-7-yl)anthracen-9-yl]-2,3-diphenyl-1-benzofuran

C54H34O2 — CID 58239715

IUPAC7-[10-(2,3-diphenyl-1-benzofuran-7-yl)anthracen-9-yl]-2,3-diphenyl-1-benzofuran
SMILESc1ccc(-c2oc3c(-c4c5ccccc5c(-c5cccc6c(-c7ccccc7)c(-c7ccccc7)oc56)c5ccccc45)cccc3c2-c2ccccc2)cc1
InChIInChI=1S/C54H34O2/c1-5-19-35(20-6-1)47-43-31-17-33-45(53(43)55-51(47)37-23-9-3-10-24-37)49-39-27-13-15-29-41(39)50(42-30-16-14-28-40(42)49)46-34-18-32-44-48(36-21-7-2-8-22-36)52(56-54(44)46)38-25-11-4-12-26-38/h1-34H
InChIKeyOQARGMYLPPAZLG-UHFFFAOYSA-N
MW714.86 g/mol
LogP15.49
Rot. Bonds6

About 7-[10-(2,3-diphenyl-1-benzofuran-7-yl)anthracen-9-yl]-2,3-diphenyl-1-benzofuran

7-[10-(2,3-diphenyl-1-benzofuran-7-yl)anthracen-9-yl]-2,3-diphenyl-1-benzofuran (PubChem CID 58239715) has the molecular formula C54H34O2 and a molecular weight of 714.86 g/mol. Its IUPAC name is 7-[10-(2,3-diphenyl-1-benzofuran-7-yl)anthracen-9-yl]-2,3-diphenyl-1-benzofuran.

Molecular Properties

Compound Name7-[10-(2,3-diphenyl-1-benzofuran-7-yl)anthracen-9-yl]-2,3-diphenyl-1-benzofuran
PubChem CID58239715
Molecular FormulaC54H34O2
Molecular Weight714.86 g/mol
Exact Mass714.26
IUPAC Name7-[10-(2,3-diphenyl-1-benzofuran-7-yl)anthracen-9-yl]-2,3-diphenyl-1-benzofuran
SMILESc1ccc(-c2oc3c(-c4c5ccccc5c(-c5cccc6c(-c7ccccc7)c(-c7ccccc7)oc56)c5ccccc45)cccc3c2-c2ccccc2)cc1
InChIInChI=1S/C54H34O2/c1-5-19-35(20-6-1)47-43-31-17-33-45(53(43)55-51(47)37-23-9-3-10-24-37)49-39-27-13-15-29-41(39)50(42-30-16-14-28-40(42)49)46-34-18-32-44-48(36-21-7-2-8-22-36)52(56-54(44)46)38-25-11-4-12-26-38/h1-34H
InChIKeyOQARGMYLPPAZLG-UHFFFAOYSA-N
XLogP15.49
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.86
LogP ≤ 515.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

7-iodo-2,3-diphenyl-1-benzofuran
CID 633887
6-(10-dibenzofuran-4-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176743305
5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,2,4-triphenylbenzo[e][1]benzofuran
CID 58340453
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1-benzofuran
CID 121336223
8-(10-dibenzofuran-3-ylanthracen-9-yl)-2,3-diphenyl-[1]benzofuro[6,5-b][1]benzofuran
CID 176745348
4,8-bis(4-naphthalen-1-ylphenyl)-2,3,6,7-tetraphenylfuro[2,3-f][1]benzofuran
CID 58160893
2-(10-dibenzofuran-4-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[6,5-b][1]benzofuran
CID 176743887
4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 154595944
1-(10-phenylanthracen-9-yl)-6-(2-phenylphenyl)dibenzofuran
CID 134169518
1,2,3,4-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)dibenzofuran
CID 176786272
7-(10-dibenzofuran-4-ylanthracen-9-yl)-16-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 153314459
4-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176744678

Frequently Asked Questions

What is the IUPAC name of 7-[10-(2,3-diphenyl-1-benzofuran-7-yl)anthracen-9-yl]-2,3-diphenyl-1-benzofuran?
The IUPAC name of 7-[10-(2,3-diphenyl-1-benzofuran-7-yl)anthracen-9-yl]-2,3-diphenyl-1-benzofuran (CID 58239715) is 7-[10-(2,3-diphenyl-1-benzofuran-7-yl)anthracen-9-yl]-2,3-diphenyl-1-benzofuran.
What is the SMILES notation for 7-[10-(2,3-diphenyl-1-benzofuran-7-yl)anthracen-9-yl]-2,3-diphenyl-1-benzofuran?
The canonical SMILES for 7-[10-(2,3-diphenyl-1-benzofuran-7-yl)anthracen-9-yl]-2,3-diphenyl-1-benzofuran is c1ccc(-c2oc3c(-c4c5ccccc5c(-c5cccc6c(-c7ccccc7)c(-c7ccccc7)oc56)c5ccccc45)cccc3c2-c2ccccc2)cc1.
What is the InChIKey of 7-[10-(2,3-diphenyl-1-benzofuran-7-yl)anthracen-9-yl]-2,3-diphenyl-1-benzofuran?
The InChIKey is OQARGMYLPPAZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34O2/c1-5-19-35(20-6-1)47-43-31-17-33-45(53(43)55-51(47)37-23-9-3-10-24-37)49-39-27-13-15-29-41(39)50(42-30-16-14-28-40(42)49)46-34-18-32-44-48(36-21-7-2-8-22-36)52(56-54(44)46)38-25-11-4-12-26-38/h1-34H.
What are the key properties of 7-[10-(2,3-diphenyl-1-benzofuran-7-yl)anthracen-9-yl]-2,3-diphenyl-1-benzofuran?
7-[10-(2,3-diphenyl-1-benzofuran-7-yl)anthracen-9-yl]-2,3-diphenyl-1-benzofuran has a molecular weight of 714.86 g/mol, XLogP of 15.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[10-(2,3-diphenyl-1-benzofuran-7-yl)anthracen-9-yl]-2,3-diphenyl-1-benzofuran is sourced from PubChem (CID 58239715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).