8-fluoranthen-3-yl-1-phenanthren-2-yldibenzofuran

C42H24O — CID 129100711

IUPAC8-fluoranthen-3-yl-1-phenanthren-2-yldibenzofuran
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc5oc6cccc(-c7ccc8c(ccc9ccccc98)c7)c6c5c4)ccc-2c13
InChIInChI=1S/C42H24O/c1-2-8-29-25(7-1)15-16-26-23-27(17-19-30(26)29)32-11-6-14-40-42(32)38-24-28(18-22-39(38)43-40)31-20-21-37-34-10-4-3-9-33(34)36-13-5-12-35(31)41(36)37/h1-24H
InChIKeyLMSQITPEZUFCCY-UHFFFAOYSA-N
MW544.65 g/mol
LogP12.03
Rot. Bonds2

About 8-fluoranthen-3-yl-1-phenanthren-2-yldibenzofuran

8-fluoranthen-3-yl-1-phenanthren-2-yldibenzofuran (PubChem CID 129100711) has the molecular formula C42H24O and a molecular weight of 544.65 g/mol. Its IUPAC name is 8-fluoranthen-3-yl-1-phenanthren-2-yldibenzofuran.

Molecular Properties

Compound Name8-fluoranthen-3-yl-1-phenanthren-2-yldibenzofuran
PubChem CID129100711
Molecular FormulaC42H24O
Molecular Weight544.65 g/mol
Exact Mass544.18
IUPAC Name8-fluoranthen-3-yl-1-phenanthren-2-yldibenzofuran
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc5oc6cccc(-c7ccc8c(ccc9ccccc98)c7)c6c5c4)ccc-2c13
InChIInChI=1S/C42H24O/c1-2-8-29-25(7-1)15-16-26-23-27(17-19-30(26)29)32-11-6-14-40-42(32)38-24-28(18-22-39(38)43-40)31-20-21-37-34-10-4-3-9-33(34)36-13-5-12-35(31)41(36)37/h1-24H
InChIKeyLMSQITPEZUFCCY-UHFFFAOYSA-N
XLogP12.03
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.65
LogP ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8-fluoranthen-3-yl-1-phenanthren-2-yldibenzofuran 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

1-fluoranthen-8-yl-8-phenanthren-3-yldibenzofuran
CID 129100193
2-chrysen-6-yl-8-(6-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-chrysen-6-yl-8-(7-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran;2-(7-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran
CID 159150176
1-phenyl-8-pyren-1-yldibenzofuran
CID 170658138
1-(7,10-dinaphthalen-1-ylfluoranthen-3-yl)-8-phenanthren-9-yldibenzofuran
CID 129100703
8-fluoranthen-3-yl-1-methyldibenzofuran
CID 145447322
2-naphthalen-2-yl-4-(8-naphthalen-1-yldibenzofuran-1-yl)-6-phenanthren-9-yl-1,3,5-triazine
CID 166742425
2-[8-[8-[9-[4-(8-chrysen-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]fluoranthen-3-yl]dibenzofuran-1-yl]-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine
CID 155470980
11-benzo[a]anthracen-2-ylnaphtho[2,1-b][1]benzofuran
CID 177072140
2,4-dinaphthalen-2-yl-6-(8-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166742708
2-(8-fluoranthen-3-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-(8-pyren-2-yldibenzofuran-1-yl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-(4-triphenylen-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 160553070
N-dibenzofuran-3-yl-9-phenanthren-3-yldibenzofuran-2-amine
CID 169315832
2-(4-fluoranthen-3-ylphenyl)dibenzofuran
CID 121287650

Frequently Asked Questions

What is the IUPAC name of 8-fluoranthen-3-yl-1-phenanthren-2-yldibenzofuran?
The IUPAC name of 8-fluoranthen-3-yl-1-phenanthren-2-yldibenzofuran (CID 129100711) is 8-fluoranthen-3-yl-1-phenanthren-2-yldibenzofuran.
What is the SMILES notation for 8-fluoranthen-3-yl-1-phenanthren-2-yldibenzofuran?
The canonical SMILES for 8-fluoranthen-3-yl-1-phenanthren-2-yldibenzofuran is c1ccc2c(c1)-c1cccc3c(-c4ccc5oc6cccc(-c7ccc8c(ccc9ccccc98)c7)c6c5c4)ccc-2c13.
What is the InChIKey of 8-fluoranthen-3-yl-1-phenanthren-2-yldibenzofuran?
The InChIKey is LMSQITPEZUFCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24O/c1-2-8-29-25(7-1)15-16-26-23-27(17-19-30(26)29)32-11-6-14-40-42(32)38-24-28(18-22-39(38)43-40)31-20-21-37-34-10-4-3-9-33(34)36-13-5-12-35(31)41(36)37/h1-24H.
What are the key properties of 8-fluoranthen-3-yl-1-phenanthren-2-yldibenzofuran?
8-fluoranthen-3-yl-1-phenanthren-2-yldibenzofuran has a molecular weight of 544.65 g/mol, XLogP of 12.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoranthen-3-yl-1-phenanthren-2-yldibenzofuran is sourced from PubChem (CID 129100711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).