4-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran

C48H30O — CID 58536066

IUPAC4-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
SMILESc1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c3ccccc23)c1
InChIInChI=1S/C48H30O/c1-2-19-36-31(13-1)14-11-25-37(36)32-15-9-17-34(29-32)46-40-21-3-5-23-42(40)47(43-24-6-4-22-41(43)46)35-18-10-16-33(30-35)38-26-12-27-44-39-20-7-8-28-45(39)49-48(38)44/h1-30H
InChIKeyXKBOORKQSRZHDL-UHFFFAOYSA-N
MW622.77 g/mol
LogP13.71
Rot. Bonds4

About 4-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran

4-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran (PubChem CID 58536066) has the molecular formula C48H30O and a molecular weight of 622.77 g/mol. Its IUPAC name is 4-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran.

Molecular Properties

Compound Name4-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
PubChem CID58536066
Molecular FormulaC48H30O
Molecular Weight622.77 g/mol
Exact Mass622.23
IUPAC Name4-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
SMILESc1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c3ccccc23)c1
InChIInChI=1S/C48H30O/c1-2-19-36-31(13-1)14-11-25-37(36)32-15-9-17-34(29-32)46-40-21-3-5-23-42(40)47(43-24-6-4-22-41(43)46)35-18-10-16-33(30-35)38-26-12-27-44-39-20-7-8-28-45(39)49-48(38)44/h1-30H
InChIKeyXKBOORKQSRZHDL-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-(3-chloro-5-naphthalen-1-ylphenyl)dibenzofuran
CID 146440202
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
4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 155334696
4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 143811483
16-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130185384
6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 163929828
8-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 90433616
2-[4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]dibenzofuran;2-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]dibenzofuran;4-[4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]dibenzofuran;4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]dibenzofuran;2-[6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;2-[6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;2-[6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;4-[6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;4-[6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;4-[6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran
CID 159521952
4-[3-[10-(2-methylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 143811472
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
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
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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran?
The IUPAC name of 4-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran (CID 58536066) is 4-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran.
What is the SMILES notation for 4-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran?
The canonical SMILES for 4-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran is c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c3ccccc23)c1.
What is the InChIKey of 4-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran?
The InChIKey is XKBOORKQSRZHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30O/c1-2-19-36-31(13-1)14-11-25-37(36)32-15-9-17-34(29-32)46-40-21-3-5-23-42(40)47(43-24-6-4-22-41(43)46)35-18-10-16-33(30-35)38-26-12-27-44-39-20-7-8-28-45(39)49-48(38)44/h1-30H.
What are the key properties of 4-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran?
4-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-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 4-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran is sourced from PubChem (CID 58536066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).