2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran

C48H30O — CID 58322844

IUPAC2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
SMILESc1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c3c2)cc1
InChIInChI=1S/C48H30O/c1-2-12-31(13-3-1)34-24-26-42-44(30-34)47(40-20-6-7-21-41(40)48(42)39-22-11-15-32-14-4-5-18-37(32)39)36-17-10-16-33(28-36)35-25-27-46-43(29-35)38-19-8-9-23-45(38)49-46/h1-30H
InChIKeyKLCCLDFYJGIBOJ-UHFFFAOYSA-N
MW622.77 g/mol
LogP13.71
Rot. Bonds4

About 2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran

2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran (PubChem CID 58322844) has the molecular formula C48H30O and a molecular weight of 622.77 g/mol. Its IUPAC name is 2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran.

Molecular Properties

Compound Name2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
PubChem CID58322844
Molecular FormulaC48H30O
Molecular Weight622.77 g/mol
Exact Mass622.23
IUPAC Name2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
SMILESc1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c3c2)cc1
InChIInChI=1S/C48H30O/c1-2-12-31(13-3-1)34-24-26-42-44(30-34)47(40-20-6-7-21-41(40)48(42)39-22-11-15-32-14-4-5-18-37(32)39)36-17-10-16-33(28-36)35-25-27-46-43(29-35)38-19-8-9-23-45(38)49-46/h1-30H
InChIKeyKLCCLDFYJGIBOJ-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'}

Analyze 2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran 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

2-[6-dibenzofuran-2-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran
CID 143914037
2-(9,10-dinaphthalen-1-ylanthracen-2-yl)dibenzofuran
CID 58322852
2-[3-(3-methyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 167060905
2-(10-dibenzofuran-2-yl-3-phenylanthracen-9-yl)-7-naphthalen-1-yldibenzofuran
CID 168795842
2-(2,10-dinaphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58322991
5-[3-[10-naphthalen-1-yl-2-(3-phenylphenyl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 163666366
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58151301
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 167561515
2-[10-[3-[6-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran
CID 172546696
7-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 88568839
deuterium monohydride;2-[10-(7-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;2-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran;2-[10-[7-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 163644950
2-[4-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 59866524

Frequently Asked Questions

What is the IUPAC name of 2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran?
The IUPAC name of 2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran (CID 58322844) is 2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran.
What is the SMILES notation for 2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran?
The canonical SMILES for 2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran is c1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c3c2)cc1.
What is the InChIKey of 2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran?
The InChIKey is KLCCLDFYJGIBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30O/c1-2-12-31(13-3-1)34-24-26-42-44(30-34)47(40-20-6-7-21-41(40)48(42)39-22-11-15-32-14-4-5-18-37(32)39)36-17-10-16-33(28-36)35-25-27-46-43(29-35)38-19-8-9-23-45(38)49-46/h1-30H.
What are the key properties of 2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran?
2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]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 2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran is sourced from PubChem (CID 58322844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).