4-[4-[10-(1-benzofuran-2-yl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran

C44H26O2 — CID 177094657

IUPAC4-[4-[10-(1-benzofuran-2-yl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
SMILESc1ccc2oc(-c3c4ccccc4c(-c4ccc(-c5cccc6c5oc5ccccc56)c5ccccc45)c4ccccc34)cc2c1
InChIInChI=1S/C44H26O2/c1-9-22-39-27(12-1)26-41(45-39)43-34-18-6-4-16-32(34)42(33-17-5-7-19-35(33)43)36-25-24-30(28-13-2-3-14-29(28)36)37-20-11-21-38-31-15-8-10-23-40(31)46-44(37)38/h1-26H
InChIKeySTJQYUKWMQYZKS-UHFFFAOYSA-N
MW586.69 g/mol
LogP12.79
Rot. Bonds3

About 4-[4-[10-(1-benzofuran-2-yl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran

4-[4-[10-(1-benzofuran-2-yl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran (PubChem CID 177094657) has the molecular formula C44H26O2 and a molecular weight of 586.69 g/mol. Its IUPAC name is 4-[4-[10-(1-benzofuran-2-yl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran.

Molecular Properties

Compound Name4-[4-[10-(1-benzofuran-2-yl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
PubChem CID177094657
Molecular FormulaC44H26O2
Molecular Weight586.69 g/mol
Exact Mass586.19
IUPAC Name4-[4-[10-(1-benzofuran-2-yl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
SMILESc1ccc2oc(-c3c4ccccc4c(-c4ccc(-c5cccc6c5oc5ccccc56)c5ccccc45)c4ccccc34)cc2c1
InChIInChI=1S/C44H26O2/c1-9-22-39-27(12-1)26-41(45-39)43-34-18-6-4-16-32(34)42(33-17-5-7-19-35(33)43)36-25-24-30(28-13-2-3-14-29(28)36)37-20-11-21-38-31-15-8-10-23-40(31)46-44(37)38/h1-26H
InChIKeySTJQYUKWMQYZKS-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

2-(10-dibenzofuran-4-ylanthracen-9-yl)benzo[g][1]benzofuran
CID 174306733
4-(4-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 88910037
4-[8-dibenzofuran-4-yl-10-(1-phenylnaphthalen-2-yl)anthracen-1-yl]dibenzofuran
CID 155334125
4-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 58194573
4-anthracen-9-yldibenzofuran
CID 167187282
4-[4-[10-(2,6-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
CID 176639395
5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 88568856
4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran
CID 135183399
4-[8-dibenzofuran-4-yl-10-(4,5-diphenylanthracen-9-yl)anthracen-1-yl]dibenzofuran
CID 155334912
2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran
CID 176744869
2-(1-benzofuran-2-yl)-4-dibenzofuran-4-yl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine
CID 146183632
8-anthracen-9-yl-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 170654328

Frequently Asked Questions

What is the IUPAC name of 4-[4-[10-(1-benzofuran-2-yl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran?
The IUPAC name of 4-[4-[10-(1-benzofuran-2-yl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran (CID 177094657) is 4-[4-[10-(1-benzofuran-2-yl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran.
What is the SMILES notation for 4-[4-[10-(1-benzofuran-2-yl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran?
The canonical SMILES for 4-[4-[10-(1-benzofuran-2-yl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran is c1ccc2oc(-c3c4ccccc4c(-c4ccc(-c5cccc6c5oc5ccccc56)c5ccccc45)c4ccccc34)cc2c1.
What is the InChIKey of 4-[4-[10-(1-benzofuran-2-yl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran?
The InChIKey is STJQYUKWMQYZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26O2/c1-9-22-39-27(12-1)26-41(45-39)43-34-18-6-4-16-32(34)42(33-17-5-7-19-35(33)43)36-25-24-30(28-13-2-3-14-29(28)36)37-20-11-21-38-31-15-8-10-23-40(31)46-44(37)38/h1-26H.
What are the key properties of 4-[4-[10-(1-benzofuran-2-yl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran?
4-[4-[10-(1-benzofuran-2-yl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran 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 4-[4-[10-(1-benzofuran-2-yl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran is sourced from PubChem (CID 177094657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).