4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran

C42H26O — CID 143811483

IUPAC4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5cccc6c5oc5ccccc56)ccc4c3)c3ccccc23)cc1
InChIInChI=1S/C42H26O/c1-2-11-27(12-3-1)40-34-14-4-6-16-36(34)41(37-17-7-5-15-35(37)40)31-24-22-28-25-30(23-21-29(28)26-31)32-18-10-19-38-33-13-8-9-20-39(33)43-42(32)38/h1-26H
InChIKeyHTLXETWCFOBJLG-UHFFFAOYSA-N
MW546.67 g/mol
LogP12.05
Rot. Bonds3

About 4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran

4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran (PubChem CID 143811483) has the molecular formula C42H26O and a molecular weight of 546.67 g/mol. Its IUPAC name is 4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran.

Molecular Properties

Compound Name4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
PubChem CID143811483
Molecular FormulaC42H26O
Molecular Weight546.67 g/mol
Exact Mass546.20
IUPAC Name4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5cccc6c5oc5ccccc56)ccc4c3)c3ccccc23)cc1
InChIInChI=1S/C42H26O/c1-2-11-27(12-3-1)40-34-14-4-6-16-36(34)41(37-17-7-5-15-35(37)40)31-24-22-28-25-30(23-21-29(28)26-31)32-18-10-19-38-33-13-8-9-20-39(33)43-42(32)38/h1-26H
InChIKeyHTLXETWCFOBJLG-UHFFFAOYSA-N
XLogP12.05
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.67
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
4-[4-(2,10-dinaphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 58323570
2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran
CID 155334995
4-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-(10-phenylanthracen-9-yl)dibenzofuran;4-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 158958080
4-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 165104271
4-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 146652639
4-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536066
2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 161467576
9-naphthalen-1-yl-10-[4-(6-phenylnaphthalen-2-yl)phenyl]anthracene;9-[6-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;4-(10-phenylanthracen-9-yl)dibenzofuran;4-[3-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]dibenzofuran
CID 165012926
2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 162126993
6-naphthalen-2-yl-2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)dibenzofuran
CID 165169697

Frequently Asked Questions

What is the IUPAC name of 4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran?
The IUPAC name of 4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran (CID 143811483) is 4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran.
What is the SMILES notation for 4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran?
The canonical SMILES for 4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran is c1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5cccc6c5oc5ccccc56)ccc4c3)c3ccccc23)cc1.
What is the InChIKey of 4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran?
The InChIKey is HTLXETWCFOBJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26O/c1-2-11-27(12-3-1)40-34-14-4-6-16-36(34)41(37-17-7-5-15-35(37)40)31-24-22-28-25-30(23-21-29(28)26-31)32-18-10-19-38-33-13-8-9-20-39(33)43-42(32)38/h1-26H.
What are the key properties of 4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran?
4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran has a molecular weight of 546.67 g/mol, XLogP of 12.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran is sourced from PubChem (CID 143811483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).