4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran

C46H28O — CID 155334696

IUPAC4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
SMILESc1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cccc4c3oc3cc5ccccc5cc34)c3ccccc23)c1
InChIInChI=1S/C46H28O/c1-2-14-31-28-43-42(27-30(31)13-1)40-24-11-25-41(46(40)47-43)45-38-21-7-5-19-36(38)44(37-20-6-8-22-39(37)45)33-17-9-16-32(26-33)35-23-10-15-29-12-3-4-18-34(29)35/h1-28H
InChIKeyQHYBBCVXXWCGQU-UHFFFAOYSA-N
MW596.73 g/mol
LogP13.20
Rot. Bonds3

About 4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran

4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran (PubChem CID 155334696) has the molecular formula C46H28O and a molecular weight of 596.73 g/mol. Its IUPAC name is 4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
PubChem CID155334696
Molecular FormulaC46H28O
Molecular Weight596.73 g/mol
Exact Mass596.21
IUPAC Name4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
SMILESc1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cccc4c3oc3cc5ccccc5cc34)c3ccccc23)c1
InChIInChI=1S/C46H28O/c1-2-14-31-28-43-42(27-30(31)13-1)40-24-11-25-41(46(40)47-43)45-38-21-7-5-19-36(38)44(37-20-6-8-22-39(37)45)33-17-9-16-32(26-33)35-23-10-15-29-12-3-4-18-34(29)35/h1-28H
InChIKeyQHYBBCVXXWCGQU-UHFFFAOYSA-N
XLogP13.20
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.73
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 154595944
4-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536066
8-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;2-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran;8-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 159959017
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-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran
CID 157062382
9-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 146652375
4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran
CID 161175416
8-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 90433616
9-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;9-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 159449989
2-[2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 158349201
2-[5-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran
CID 146652642
2-[2-[10-(2-dibenzofuran-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;bis(2-[2-[10-(2-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran);2-[2-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[2-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(2-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran
CID 157395044

Frequently Asked Questions

What is the IUPAC name of 4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?
The IUPAC name of 4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran (CID 155334696) is 4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran is c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cccc4c3oc3cc5ccccc5cc34)c3ccccc23)c1.
What is the InChIKey of 4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?
The InChIKey is QHYBBCVXXWCGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28O/c1-2-14-31-28-43-42(27-30(31)13-1)40-24-11-25-41(46(40)47-43)45-38-21-7-5-19-36(38)44(37-20-6-8-22-39(37)45)33-17-9-16-32(26-33)35-23-10-15-29-12-3-4-18-34(29)35/h1-28H.
What are the key properties of 4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?
4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran has a molecular weight of 596.73 g/mol, XLogP of 13.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 155334696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).