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

C44H28O — CID 58050596

IUPAC2-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccccc23)cc1
InChIInChI=1S/C44H28O/c1-2-12-30(13-3-1)33-14-4-5-16-35(33)44-38-19-8-6-17-36(38)43(37-18-7-9-20-39(37)44)31-24-22-29(23-25-31)32-26-27-42-40(28-32)34-15-10-11-21-41(34)45-42/h1-28H
InChIKeyNDVFVZSECQKUAO-UHFFFAOYSA-N
MW572.71 g/mol
LogP12.56
Rot. Bonds4

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

2-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran (PubChem CID 58050596) has the molecular formula C44H28O and a molecular weight of 572.71 g/mol. Its IUPAC name is 2-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran.

Molecular Properties

Compound Name2-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
PubChem CID58050596
Molecular FormulaC44H28O
Molecular Weight572.71 g/mol
Exact Mass572.21
IUPAC Name2-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccccc23)cc1
InChIInChI=1S/C44H28O/c1-2-12-30(13-3-1)33-14-4-5-16-35(33)44-38-19-8-6-17-36(38)43(37-18-7-9-20-39(37)44)31-24-22-29(23-25-31)32-26-27-42-40(28-32)34-15-10-11-21-41(34)45-42/h1-28H
InChIKeyNDVFVZSECQKUAO-UHFFFAOYSA-N
XLogP12.56
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.71
LogP ≤ 512.56
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

2-[2-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536204
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 160983299
1-(10-phenylanthracen-9-yl)-8-[2-(4-phenylphenyl)phenyl]dibenzofuran
CID 134471897
7-[10-(2-phenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 170654309
9-(3-naphthalen-1-ylphenyl)-10-(7-phenylnaphthalen-1-yl)anthracene;2-[2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran
CID 165000959
2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536122
2-(10-phenylanthracen-9-yl)-7-(4-phenylphenyl)dibenzofuran;2-(10-phenylanthracen-9-yl)-8-(3-phenylphenyl)dibenzofuran;8-(10-phenylanthracen-9-yl)-1-(2-phenylphenyl)dibenzofuran
CID 157351443
2-[3-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[2-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[3-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[4-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 160925519
2-[3-(9,10-diphenylanthracen-2-yl)-5-(3-phenylphenyl)phenyl]dibenzofuran
CID 58261864
2-[2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;3-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran
CID 163870537
3-phenyl-2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 155334783

Frequently Asked Questions

What is the IUPAC name of 2-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran?
The IUPAC name of 2-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran (CID 58050596) is 2-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran.
What is the SMILES notation for 2-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran?
The canonical SMILES for 2-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran is c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccccc23)cc1.
What is the InChIKey of 2-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran?
The InChIKey is NDVFVZSECQKUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28O/c1-2-12-30(13-3-1)33-14-4-5-16-35(33)44-38-19-8-6-17-36(38)43(37-18-7-9-20-39(37)44)31-24-22-29(23-25-31)32-26-27-42-40(28-32)34-15-10-11-21-41(34)45-42/h1-28H.
What are the key properties of 2-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran?
2-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran has a molecular weight of 572.71 g/mol, XLogP of 12.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran is sourced from PubChem (CID 58050596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).