1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran

C46H26O3 — CID 176744536

IUPAC1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran
SMILESc1ccc(-c2oc3cc4c(cc3c2-c2c3ccccc3c(-c3ccc5oc6ccccc6c5c3)c3ccccc23)oc2ccccc24)cc1
InChIInChI=1S/C46H26O3/c1-2-12-27(13-3-1)46-45(37-26-41-36(25-42(37)49-46)30-15-9-11-21-39(30)48-41)44-33-18-6-4-16-31(33)43(32-17-5-7-19-34(32)44)28-22-23-40-35(24-28)29-14-8-10-20-38(29)47-40/h1-26H
InChIKeyUJNBKTPSAPUVOL-UHFFFAOYSA-N
MW626.71 g/mol
LogP13.54
Rot. Bonds3

About 1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran

1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran (PubChem CID 176744536) has the molecular formula C46H26O3 and a molecular weight of 626.71 g/mol. Its IUPAC name is 1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran.

Molecular Properties

Compound Name1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran
PubChem CID176744536
Molecular FormulaC46H26O3
Molecular Weight626.71 g/mol
Exact Mass626.19
IUPAC Name1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran
SMILESc1ccc(-c2oc3cc4c(cc3c2-c2c3ccccc3c(-c3ccc5oc6ccccc6c5c3)c3ccccc23)oc2ccccc24)cc1
InChIInChI=1S/C46H26O3/c1-2-12-27(13-3-1)46-45(37-26-41-36(25-42(37)49-46)30-15-9-11-21-39(30)48-41)44-33-18-6-4-16-31(33)43(32-17-5-7-19-34(32)44)28-22-23-40-35(24-28)29-14-8-10-20-38(29)47-40/h1-26H
InChIKeyUJNBKTPSAPUVOL-UHFFFAOYSA-N
XLogP13.54
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.71
LogP ≤ 513.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[3,2-e][1]benzofuran
CID 176744978
9-phenyl-3-[10-(2-phenyl-[1]benzofuro[5,6-b][1]benzofuran-1-yl)anthracen-9-yl]carbazole
CID 176743067
6-(10-dibenzofuran-4-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176743305
6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176744195
1-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176744193
19-[10-(10-dibenzofuran-2-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 154595920
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
6-(10-phenanthren-9-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176743914
2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
19-(10-phenylanthracen-9-yl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 146460952
8-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-6-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 174264411
6-[3-(10-phenylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122415782

Frequently Asked Questions

What is the IUPAC name of 1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran?
The IUPAC name of 1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran (CID 176744536) is 1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran.
What is the SMILES notation for 1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran?
The canonical SMILES for 1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran is c1ccc(-c2oc3cc4c(cc3c2-c2c3ccccc3c(-c3ccc5oc6ccccc6c5c3)c3ccccc23)oc2ccccc24)cc1.
What is the InChIKey of 1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran?
The InChIKey is UJNBKTPSAPUVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26O3/c1-2-12-27(13-3-1)46-45(37-26-41-36(25-42(37)49-46)30-15-9-11-21-39(30)48-41)44-33-18-6-4-16-31(33)43(32-17-5-7-19-34(32)44)28-22-23-40-35(24-28)29-14-8-10-20-38(29)47-40/h1-26H.
What are the key properties of 1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran?
1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran has a molecular weight of 626.71 g/mol, XLogP of 13.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran is sourced from PubChem (CID 176744536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).