4-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran

C40H24O2 — CID 176744599

IUPAC4-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4cc5oc6ccccc6c5c5occc45)c4ccccc34)c2)cc1
InChIInChI=1S/C40H24O2/c1-2-11-25(12-3-1)26-13-10-14-27(23-26)37-28-15-4-6-17-30(28)38(31-18-7-5-16-29(31)37)34-24-36-39(40-32(34)21-22-41-40)33-19-8-9-20-35(33)42-36/h1-24H
InChIKeyKZAUITLFRJTIRD-UHFFFAOYSA-N
MW536.63 g/mol
LogP11.64
Rot. Bonds3

About 4-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran

4-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran (PubChem CID 176744599) has the molecular formula C40H24O2 and a molecular weight of 536.63 g/mol. Its IUPAC name is 4-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran.

Molecular Properties

Compound Name4-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran
PubChem CID176744599
Molecular FormulaC40H24O2
Molecular Weight536.63 g/mol
Exact Mass536.18
IUPAC Name4-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4cc5oc6ccccc6c5c5occc45)c4ccccc34)c2)cc1
InChIInChI=1S/C40H24O2/c1-2-11-25(12-3-1)26-13-10-14-27(23-26)37-28-15-4-6-17-30(28)38(31-18-7-5-16-29(31)37)34-24-36-39(40-32(34)21-22-41-40)33-19-8-9-20-35(33)42-36/h1-24H
InChIKeyKZAUITLFRJTIRD-UHFFFAOYSA-N
XLogP11.64
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.63
LogP ≤ 511.64
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

4-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,4-b][1]benzofuran
CID 176743110
1-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran
CID 176744543
6-[10-[3-(3-phenylphenyl)phenyl]anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene
CID 162712240
5-(10-phenylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran
CID 176744949
4-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[5,4-b][1]benzofuran
CID 176743706
3-(4-deuteriophenyl)-1-[10-[3-(4-deuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 170653941
3-phenyl-2-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran
CID 176745718
3-dibenzofuran-1-yl-1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran
CID 167306847
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
1-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 174167645
1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran
CID 134471934
3-phenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170249878

Frequently Asked Questions

What is the IUPAC name of 4-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran?
The IUPAC name of 4-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran (CID 176744599) is 4-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran.
What is the SMILES notation for 4-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran?
The canonical SMILES for 4-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran is c1ccc(-c2cccc(-c3c4ccccc4c(-c4cc5oc6ccccc6c5c5occc45)c4ccccc34)c2)cc1.
What is the InChIKey of 4-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran?
The InChIKey is KZAUITLFRJTIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24O2/c1-2-11-25(12-3-1)26-13-10-14-27(23-26)37-28-15-4-6-17-30(28)38(31-18-7-5-16-29(31)37)34-24-36-39(40-32(34)21-22-41-40)33-19-8-9-20-35(33)42-36/h1-24H.
What are the key properties of 4-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran?
4-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran has a molecular weight of 536.63 g/mol, XLogP of 11.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran is sourced from PubChem (CID 176744599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).