1-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b][1]benzofuran

C34H20O2 — CID 166872380

IUPAC1-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4oc5oc6ccccc6c5c34)c3ccccc23)cc1
InChIInChI=1S/C34H20O2/c1-2-11-21(12-3-1)30-22-13-4-6-15-24(22)31(25-16-7-5-14-23(25)30)27-18-10-20-29-32(27)33-26-17-8-9-19-28(26)35-34(33)36-29/h1-20H
InChIKeyPLODVGQFJJUENB-UHFFFAOYSA-N
MW460.53 g/mol
LogP9.97
Rot. Bonds2

About 1-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b][1]benzofuran

1-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b][1]benzofuran (PubChem CID 166872380) has the molecular formula C34H20O2 and a molecular weight of 460.53 g/mol. Its IUPAC name is 1-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b][1]benzofuran.

Molecular Properties

Compound Name1-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b][1]benzofuran
PubChem CID166872380
Molecular FormulaC34H20O2
Molecular Weight460.53 g/mol
Exact Mass460.15
IUPAC Name1-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4oc5oc6ccccc6c5c34)c3ccccc23)cc1
InChIInChI=1S/C34H20O2/c1-2-11-21(12-3-1)30-22-13-4-6-15-24(22)31(25-16-7-5-14-23(25)30)27-18-10-20-29-32(27)33-26-17-8-9-19-28(26)35-34(33)36-29/h1-20H
InChIKeyPLODVGQFJJUENB-UHFFFAOYSA-N
XLogP9.97
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.53
LogP ≤ 59.97
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

2-dibenzofuran-1-yl-1-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 134164781
4-naphthalen-1-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 138749852
1-[10-[7-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 170448220
4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran
CID 122415610
1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran
CID 134471934
1-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 153474897
1-(10-phenylanthracen-9-yl)-6-(2-phenylphenyl)dibenzofuran
CID 134169518
1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran
CID 168795804
7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 130185376
4-[10-(2-phenylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 167187249
1-(10-phenylanthracen-9-yl)-8-[2-(4-phenylphenyl)phenyl]dibenzofuran
CID 134471897
1-[10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 174297149

Frequently Asked Questions

What is the IUPAC name of 1-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b][1]benzofuran?
The IUPAC name of 1-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b][1]benzofuran (CID 166872380) is 1-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b][1]benzofuran.
What is the SMILES notation for 1-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b][1]benzofuran?
The canonical SMILES for 1-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b][1]benzofuran is c1ccc(-c2c3ccccc3c(-c3cccc4oc5oc6ccccc6c5c34)c3ccccc23)cc1.
What is the InChIKey of 1-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b][1]benzofuran?
The InChIKey is PLODVGQFJJUENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20O2/c1-2-11-21(12-3-1)30-22-13-4-6-15-24(22)31(25-16-7-5-14-23(25)30)27-18-10-20-29-32(27)33-26-17-8-9-19-28(26)35-34(33)36-29/h1-20H.
What are the key properties of 1-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b][1]benzofuran?
1-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b][1]benzofuran has a molecular weight of 460.53 g/mol, XLogP of 9.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b][1]benzofuran is sourced from PubChem (CID 166872380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).