1-(10-dibenzofuran-1-ylanthracen-9-yl)-7-phenylbenzo[e][1]benzofuran

C44H26O2 — CID 174306635

IUPAC1-(10-dibenzofuran-1-ylanthracen-9-yl)-7-phenylbenzo[e][1]benzofuran
SMILESc1ccc(-c2ccc3c(ccc4occ(-c5c6ccccc6c(-c6cccc7oc8ccccc8c67)c6ccccc56)c43)c2)cc1
InChIInChI=1S/C44H26O2/c1-2-11-27(12-3-1)28-21-23-30-29(25-28)22-24-39-43(30)37(26-45-39)42-33-15-6-4-13-31(33)41(32-14-5-7-16-34(32)42)36-18-10-20-40-44(36)35-17-8-9-19-38(35)46-40/h1-26H
InChIKeyLKKZVKJRIHFSTD-UHFFFAOYSA-N
MW586.69 g/mol
LogP12.79
Rot. Bonds3

About 1-(10-dibenzofuran-1-ylanthracen-9-yl)-7-phenylbenzo[e][1]benzofuran

1-(10-dibenzofuran-1-ylanthracen-9-yl)-7-phenylbenzo[e][1]benzofuran (PubChem CID 174306635) has the molecular formula C44H26O2 and a molecular weight of 586.69 g/mol. Its IUPAC name is 1-(10-dibenzofuran-1-ylanthracen-9-yl)-7-phenylbenzo[e][1]benzofuran.

Molecular Properties

Compound Name1-(10-dibenzofuran-1-ylanthracen-9-yl)-7-phenylbenzo[e][1]benzofuran
PubChem CID174306635
Molecular FormulaC44H26O2
Molecular Weight586.69 g/mol
Exact Mass586.19
IUPAC Name1-(10-dibenzofuran-1-ylanthracen-9-yl)-7-phenylbenzo[e][1]benzofuran
SMILESc1ccc(-c2ccc3c(ccc4occ(-c5c6ccccc6c(-c6cccc7oc8ccccc8c67)c6ccccc56)c43)c2)cc1
InChIInChI=1S/C44H26O2/c1-2-11-27(12-3-1)28-21-23-30-29(25-28)22-24-39-43(30)37(26-45-39)42-33-15-6-4-13-31(33)41(32-14-5-7-16-34(32)42)36-18-10-20-40-44(36)35-17-8-9-19-38(35)46-40/h1-26H
InChIKeyLKKZVKJRIHFSTD-UHFFFAOYSA-N
XLogP12.79
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.69
LogP ≤ 512.79
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

1-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)dibenzofuran
CID 174306507
1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran
CID 168795804
1-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran
CID 176744543
1-[10-[7-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 170448220
1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran
CID 134471934
8-phenyl-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 174167530
deuterium monohydride;1-[10-(7-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;1-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;1-[10-(6-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 163894807
1-(10-phenylanthracen-9-yl)-9-[4-[9-phenyl-10-(8-phenyldibenzofuran-1-yl)anthracen-2-yl]phenyl]dibenzofuran
CID 139396293
1-phenanthren-2-yl-9-(10-phenylanthracen-9-yl)dibenzofuran;7-phenanthren-9-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;8-phenanthren-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 158243132
9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;2-[10-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran;9-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-(4-phenylphenyl)anthracene;1-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 165001898
1-[1,2,3,4,5,6,7,8-octadeuterio-10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran
CID 153436635
11-[10-(3,5-diphenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 155205291

Frequently Asked Questions

What is the IUPAC name of 1-(10-dibenzofuran-1-ylanthracen-9-yl)-7-phenylbenzo[e][1]benzofuran?
The IUPAC name of 1-(10-dibenzofuran-1-ylanthracen-9-yl)-7-phenylbenzo[e][1]benzofuran (CID 174306635) is 1-(10-dibenzofuran-1-ylanthracen-9-yl)-7-phenylbenzo[e][1]benzofuran.
What is the SMILES notation for 1-(10-dibenzofuran-1-ylanthracen-9-yl)-7-phenylbenzo[e][1]benzofuran?
The canonical SMILES for 1-(10-dibenzofuran-1-ylanthracen-9-yl)-7-phenylbenzo[e][1]benzofuran is c1ccc(-c2ccc3c(ccc4occ(-c5c6ccccc6c(-c6cccc7oc8ccccc8c67)c6ccccc56)c43)c2)cc1.
What is the InChIKey of 1-(10-dibenzofuran-1-ylanthracen-9-yl)-7-phenylbenzo[e][1]benzofuran?
The InChIKey is LKKZVKJRIHFSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26O2/c1-2-11-27(12-3-1)28-21-23-30-29(25-28)22-24-39-43(30)37(26-45-39)42-33-15-6-4-13-31(33)41(32-14-5-7-16-34(32)42)36-18-10-20-40-44(36)35-17-8-9-19-38(35)46-40/h1-26H.
What are the key properties of 1-(10-dibenzofuran-1-ylanthracen-9-yl)-7-phenylbenzo[e][1]benzofuran?
1-(10-dibenzofuran-1-ylanthracen-9-yl)-7-phenylbenzo[e][1]benzofuran has a molecular weight of 586.69 g/mol, XLogP of 12.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-dibenzofuran-1-ylanthracen-9-yl)-7-phenylbenzo[e][1]benzofuran is sourced from PubChem (CID 174306635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).