4-[10-(2-fluoranthen-3-ylphenyl)anthracen-9-yl]dibenzofuran

C48H28O — CID 155454066

IUPAC4-[10-(2-fluoranthen-3-ylphenyl)anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2ccc3c4c(cccc24)-c2ccccc2-3)c(-c2c3ccccc3c(-c3cccc4c3oc3ccccc34)c3ccccc23)c1
InChIInChI=1S/C48H28O/c1-2-14-30-29(13-1)35-22-11-23-36-32(27-28-41(30)45(35)36)31-15-3-4-17-34(31)46-37-18-5-7-20-39(37)47(40-21-8-6-19-38(40)46)43-25-12-24-42-33-16-9-10-26-44(33)49-48(42)43/h1-28H
InChIKeyXXRTXEMKRPSHDV-UHFFFAOYSA-N
MW620.75 g/mol
LogP13.69
Rot. Bonds3

About 4-[10-(2-fluoranthen-3-ylphenyl)anthracen-9-yl]dibenzofuran

4-[10-(2-fluoranthen-3-ylphenyl)anthracen-9-yl]dibenzofuran (PubChem CID 155454066) has the molecular formula C48H28O and a molecular weight of 620.75 g/mol. Its IUPAC name is 4-[10-(2-fluoranthen-3-ylphenyl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name4-[10-(2-fluoranthen-3-ylphenyl)anthracen-9-yl]dibenzofuran
PubChem CID155454066
Molecular FormulaC48H28O
Molecular Weight620.75 g/mol
Exact Mass620.21
IUPAC Name4-[10-(2-fluoranthen-3-ylphenyl)anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2ccc3c4c(cccc24)-c2ccccc2-3)c(-c2c3ccccc3c(-c3cccc4c3oc3ccccc34)c3ccccc23)c1
InChIInChI=1S/C48H28O/c1-2-14-30-29(13-1)35-22-11-23-36-32(27-28-41(30)45(35)36)31-15-3-4-17-34(31)46-37-18-5-7-20-39(37)47(40-21-8-6-19-38(40)46)43-25-12-24-42-33-16-9-10-26-44(33)49-48(42)43/h1-28H
InChIKeyXXRTXEMKRPSHDV-UHFFFAOYSA-N
XLogP13.69
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.75
LogP ≤ 513.69
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-(4-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 88910037
7-dibenzofuran-4-yl-1-fluoranthen-3-yldibenzofuran
CID 129100580
7-(10-dibenzofuran-4-ylanthracen-9-yl)-16-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 153314459
4-[4-[10-(2,6-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
CID 176639395
6-dibenzofuran-3-yl-1-fluoranthen-3-yldibenzofuran
CID 129100596
4-anthracen-9-yldibenzofuran
CID 167187282
4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran
CID 122415610
3-[10-(17-pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaenyl)anthracen-9-yl]dibenzofuran
CID 155475477
1-dibenzofuran-2-yl-6-fluoranthen-3-yldibenzofuran
CID 129100765
3-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 58991746
5,10-di(dibenzofuran-4-yl)benzo[g]isoquinoline
CID 59184089
1-[10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 174297149

Frequently Asked Questions

What is the IUPAC name of 4-[10-(2-fluoranthen-3-ylphenyl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 4-[10-(2-fluoranthen-3-ylphenyl)anthracen-9-yl]dibenzofuran (CID 155454066) is 4-[10-(2-fluoranthen-3-ylphenyl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 4-[10-(2-fluoranthen-3-ylphenyl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 4-[10-(2-fluoranthen-3-ylphenyl)anthracen-9-yl]dibenzofuran is c1ccc(-c2ccc3c4c(cccc24)-c2ccccc2-3)c(-c2c3ccccc3c(-c3cccc4c3oc3ccccc34)c3ccccc23)c1.
What is the InChIKey of 4-[10-(2-fluoranthen-3-ylphenyl)anthracen-9-yl]dibenzofuran?
The InChIKey is XXRTXEMKRPSHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28O/c1-2-14-30-29(13-1)35-22-11-23-36-32(27-28-41(30)45(35)36)31-15-3-4-17-34(31)46-37-18-5-7-20-39(37)47(40-21-8-6-19-38(40)46)43-25-12-24-42-33-16-9-10-26-44(33)49-48(42)43/h1-28H.
What are the key properties of 4-[10-(2-fluoranthen-3-ylphenyl)anthracen-9-yl]dibenzofuran?
4-[10-(2-fluoranthen-3-ylphenyl)anthracen-9-yl]dibenzofuran has a molecular weight of 620.75 g/mol, XLogP of 13.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(2-fluoranthen-3-ylphenyl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 155454066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).