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

C48H30O — CID 155335016

IUPAC4-naphthalen-1-yl-1-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)c4oc5ccccc5c34)c3ccccc23)cc1
InChIInChI=1S/C48H30O/c1-2-15-31(16-3-1)34-20-6-7-21-36(34)45-37-22-8-10-24-39(37)46(40-25-11-9-23-38(40)45)43-30-29-41(35-27-14-18-32-17-4-5-19-33(32)35)48-47(43)42-26-12-13-28-44(42)49-48/h1-30H
InChIKeyXSBLIZHXCPOWLC-UHFFFAOYSA-N
MW622.77 g/mol
LogP13.71
Rot. Bonds4

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

4-naphthalen-1-yl-1-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran (PubChem CID 155335016) has the molecular formula C48H30O and a molecular weight of 622.77 g/mol. Its IUPAC name is 4-naphthalen-1-yl-1-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name4-naphthalen-1-yl-1-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
PubChem CID155335016
Molecular FormulaC48H30O
Molecular Weight622.77 g/mol
Exact Mass622.23
IUPAC Name4-naphthalen-1-yl-1-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)c4oc5ccccc5c34)c3ccccc23)cc1
InChIInChI=1S/C48H30O/c1-2-15-31(16-3-1)34-20-6-7-21-36(34)45-37-22-8-10-24-39(37)46(40-25-11-9-23-38(40)45)43-30-29-41(35-27-14-18-32-17-4-5-19-33(32)35)48-47(43)42-26-12-13-28-44(42)49-48/h1-30H
InChIKeyXSBLIZHXCPOWLC-UHFFFAOYSA-N
XLogP13.71
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.77
LogP ≤ 513.71
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-naphthalen-1-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 138749852
1-(10-naphthalen-1-yl-2,3-diphenylanthracen-9-yl)-4-phenyldibenzofuran
CID 168795933
4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]-1-[4-[3-phenyl-4-[10-(1-phenyldibenzofuran-4-yl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 155454220
4-[4-[10-(4-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 154970869
4-[4-[10-(4-dibenzofuran-1-ylphenyl)anthracen-9-yl]-3-phenylphenyl]-1-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 148826059
2-(4-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166742174
1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-6-phenyldibenzofuran
CID 176751774
1-(10-dibenzofuran-2-ylanthracen-9-yl)-4-(2-phenylphenyl)dibenzofuran
CID 165169659
1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-(2-phenylphenyl)dibenzofuran
CID 165169897
4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168848086
1-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 159932863
4-naphthalen-1-yl-1-[10-[(2-naphthalen-2-ylphenyl)methyl]anthracen-9-yl]dibenzofuran
CID 167392397

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-1-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 4-naphthalen-1-yl-1-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran (CID 155335016) is 4-naphthalen-1-yl-1-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 4-naphthalen-1-yl-1-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 4-naphthalen-1-yl-1-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran is c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)c4oc5ccccc5c34)c3ccccc23)cc1.
What is the InChIKey of 4-naphthalen-1-yl-1-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran?
The InChIKey is XSBLIZHXCPOWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30O/c1-2-15-31(16-3-1)34-20-6-7-21-36(34)45-37-22-8-10-24-39(37)46(40-25-11-9-23-38(40)45)43-30-29-41(35-27-14-18-32-17-4-5-19-33(32)35)48-47(43)42-26-12-13-28-44(42)49-48/h1-30H.
What are the key properties of 4-naphthalen-1-yl-1-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran?
4-naphthalen-1-yl-1-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran has a molecular weight of 622.77 g/mol, XLogP of 13.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-1-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 155335016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).