5-(10-phenylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran

C34H20O2 — CID 176744949

IUPAC5-(10-phenylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3cc4ccoc4c4oc5ccccc5c34)c3ccccc23)cc1
InChIInChI=1S/C34H20O2/c1-2-10-21(11-3-1)30-23-12-4-6-14-25(23)31(26-15-7-5-13-24(26)30)28-20-22-18-19-35-33(22)34-32(28)27-16-8-9-17-29(27)36-34/h1-20H
InChIKeyRNMWSQVANNLBBY-UHFFFAOYSA-N
MW460.53 g/mol
LogP9.97
Rot. Bonds2

About 5-(10-phenylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran

5-(10-phenylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran (PubChem CID 176744949) has the molecular formula C34H20O2 and a molecular weight of 460.53 g/mol. Its IUPAC name is 5-(10-phenylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran.

Molecular Properties

Compound Name5-(10-phenylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran
PubChem CID176744949
Molecular FormulaC34H20O2
Molecular Weight460.53 g/mol
Exact Mass460.15
IUPAC Name5-(10-phenylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3cc4ccoc4c4oc5ccccc5c34)c3ccccc23)cc1
InChIInChI=1S/C34H20O2/c1-2-10-21(11-3-1)30-23-12-4-6-14-25(23)31(26-15-7-5-13-24(26)30)28-20-22-18-19-35-33(22)34-32(28)27-16-8-9-17-29(27)36-34/h1-20H
InChIKeyRNMWSQVANNLBBY-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

5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran
CID 176744892
3-[10-([1]benzofuro[3,2-g][1]benzofuran-5-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176746053
11-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene
CID 130190049
4-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran
CID 176744599
6-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[7,6-b][1]benzofuran
CID 176745258
6-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 86667299
11-(10-naphthalen-2-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene
CID 122425864
6-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran
CID 129119407
4-naphthalen-1-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 138749852
11-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1,3,5,7,10,12,14,16(24),18,20,22-undecaene
CID 147676477
5-[10-[2-(1-benzofuran-7-yl)phenyl]anthracen-9-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 170212467
11-(10-phenylanthracen-9-yl)-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene
CID 130212291

Frequently Asked Questions

What is the IUPAC name of 5-(10-phenylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran?
The IUPAC name of 5-(10-phenylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran (CID 176744949) is 5-(10-phenylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran.
What is the SMILES notation for 5-(10-phenylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran?
The canonical SMILES for 5-(10-phenylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran is c1ccc(-c2c3ccccc3c(-c3cc4ccoc4c4oc5ccccc5c34)c3ccccc23)cc1.
What is the InChIKey of 5-(10-phenylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran?
The InChIKey is RNMWSQVANNLBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20O2/c1-2-10-21(11-3-1)30-23-12-4-6-14-25(23)31(26-15-7-5-13-24(26)30)28-20-22-18-19-35-33(22)34-32(28)27-16-8-9-17-29(27)36-34/h1-20H.
What are the key properties of 5-(10-phenylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran?
5-(10-phenylanthracen-9-yl)-[1]benzofuro[3,2-g][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 5-(10-phenylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran is sourced from PubChem (CID 176744949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).