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

C46H28O2 — CID 176743165

IUPAC3-phenyl-9-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4oc5ccc6c(-c7ccccc7)coc6c5c4c3)c3ccccc23)cc1
InChIInChI=1S/C46H28O2/c1-3-13-29(14-4-1)32-17-7-8-18-33(32)44-36-21-11-9-19-34(36)43(35-20-10-12-22-37(35)44)31-23-25-41-39(27-31)45-42(48-41)26-24-38-40(28-47-46(38)45)30-15-5-2-6-16-30/h1-28H
InChIKeyXVVMJRZPFLKNEM-UHFFFAOYSA-N
MW612.73 g/mol
LogP13.31
Rot. Bonds4

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

3-phenyl-9-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran (PubChem CID 176743165) has the molecular formula C46H28O2 and a molecular weight of 612.73 g/mol. Its IUPAC name is 3-phenyl-9-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran.

Molecular Properties

Compound Name3-phenyl-9-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran
PubChem CID176743165
Molecular FormulaC46H28O2
Molecular Weight612.73 g/mol
Exact Mass612.21
IUPAC Name3-phenyl-9-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4oc5ccc6c(-c7ccccc7)coc6c5c4c3)c3ccccc23)cc1
InChIInChI=1S/C46H28O2/c1-3-13-29(14-4-1)32-17-7-8-18-33(32)44-36-21-11-9-19-34(36)43(35-20-10-12-22-37(35)44)31-23-25-41-39(27-31)45-42(48-41)26-24-38-40(28-47-46(38)45)30-15-5-2-6-16-30/h1-28H
InChIKeyXVVMJRZPFLKNEM-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-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran
CID 176743237
10-(10-dibenzothiophen-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran
CID 176744203
7-(10-dibenzothiophen-1-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran
CID 176743287
10-(10-dibenzofuran-4-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran
CID 176746040
1-(10-phenylanthracen-9-yl)-8-[2-(4-phenylphenyl)phenyl]dibenzofuran
CID 134471897
3-naphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran
CID 176743645
7-[10-(2-phenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 170654309
2-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58050596
1-(10-dibenzofuran-2-ylanthracen-9-yl)-4-(2-phenylphenyl)dibenzofuran
CID 165169659
8-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 177089190
1-(10-phenylanthracen-9-yl)-9-[4-[9-phenyl-10-(8-phenyldibenzofuran-1-yl)anthracen-2-yl]phenyl]dibenzofuran
CID 139396293
1-phenyl-6-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran
CID 176743575

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-9-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran?
The IUPAC name of 3-phenyl-9-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran (CID 176743165) is 3-phenyl-9-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran.
What is the SMILES notation for 3-phenyl-9-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran?
The canonical SMILES for 3-phenyl-9-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran is c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4oc5ccc6c(-c7ccccc7)coc6c5c4c3)c3ccccc23)cc1.
What is the InChIKey of 3-phenyl-9-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran?
The InChIKey is XVVMJRZPFLKNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28O2/c1-3-13-29(14-4-1)32-17-7-8-18-33(32)44-36-21-11-9-19-34(36)43(35-20-10-12-22-37(35)44)31-23-25-41-39(27-31)45-42(48-41)26-24-38-40(28-47-46(38)45)30-15-5-2-6-16-30/h1-28H.
What are the key properties of 3-phenyl-9-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran?
3-phenyl-9-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][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 3-phenyl-9-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran is sourced from PubChem (CID 176743165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).