2-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran

C46H28O2 — CID 176745980

IUPAC2-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4cc6cc(-c7ccccc7)oc6cc45)c4ccccc34)c2)cc1
InChIInChI=1S/C46H28O2/c1-3-12-29(13-4-1)31-16-11-17-32(24-31)45-36-18-7-9-20-38(36)46(39-21-10-8-19-37(39)45)33-22-23-35-40-28-42-34(27-44(40)48-43(35)25-33)26-41(47-42)30-14-5-2-6-15-30/h1-28H
InChIKeyLATLGLRSOFPADC-UHFFFAOYSA-N
MW612.73 g/mol
LogP13.31
Rot. Bonds4

About 2-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran

2-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran (PubChem CID 176745980) has the molecular formula C46H28O2 and a molecular weight of 612.73 g/mol. Its IUPAC name is 2-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran.

Molecular Properties

Compound Name2-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran
PubChem CID176745980
Molecular FormulaC46H28O2
Molecular Weight612.73 g/mol
Exact Mass612.21
IUPAC Name2-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4cc6cc(-c7ccccc7)oc6cc45)c4ccccc34)c2)cc1
InChIInChI=1S/C46H28O2/c1-3-12-29(13-4-1)31-16-11-17-32(24-31)45-36-18-7-9-20-38(36)46(39-21-10-8-19-37(39)45)33-22-23-35-40-28-42-34(27-44(40)48-43(35)25-33)26-41(47-42)30-14-5-2-6-15-30/h1-28H
InChIKeyLATLGLRSOFPADC-UHFFFAOYSA-N
XLogP13.31
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.73
LogP ≤ 513.31
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

9-phenyl-3-[10-(2-phenyl-[1]benzofuro[5,6-b][1]benzofuran-7-yl)anthracen-9-yl]carbazole
CID 176743806
8-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176745042
2-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran
CID 176744840
7-naphthalen-2-yl-2-(10-phenylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran;7-phenyl-2-(10-phenylanthracen-9-yl)dibenzofuran
CID 164972218
2-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 90433458
17-[4-[10-([1]benzofuro[5,6-b][1]benzofuran-2-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 174264298
3-[6-[4-[10-dibenzofuran-3-yl-3-(9-dibenzofuran-3-yl-10-phenylanthracen-2-yl)anthracen-9-yl]phenyl]naphthalen-2-yl]-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 175620760
3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 146350651
7-(9,10-diphenylanthracen-2-yl)-2-phenyldibenzofuran
CID 168795741
3-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 171420902
3-[10-(2,4,6-trideuterio-3,5-diphenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 170662233
7-(2,3,4,5,6-pentadeuteriophenyl)-2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170662706

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran?
The IUPAC name of 2-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran (CID 176745980) is 2-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran.
What is the SMILES notation for 2-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran?
The canonical SMILES for 2-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran is c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4cc6cc(-c7ccccc7)oc6cc45)c4ccccc34)c2)cc1.
What is the InChIKey of 2-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran?
The InChIKey is LATLGLRSOFPADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28O2/c1-3-12-29(13-4-1)31-16-11-17-32(24-31)45-36-18-7-9-20-38(36)46(39-21-10-8-19-37(39)45)33-22-23-35-40-28-42-34(27-44(40)48-43(35)25-33)26-41(47-42)30-14-5-2-6-15-30/h1-28H.
What are the key properties of 2-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran?
2-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran has a molecular weight of 612.73 g/mol, XLogP of 13.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran is sourced from PubChem (CID 176745980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).