5-[6-(3-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-2-yl]benzo[c]phenanthrene

C54H32 — CID 59524163

IUPAC5-[6-(3-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-2-yl]benzo[c]phenanthrene
SMILESc1ccc2c(c1)-c1cccc3c(-c4cc(-c5ccc6cc(-c7cc8ccc9ccccc9c8c8ccccc78)ccc6c5)c5ccccc5c4)ccc-2c13
InChIInChI=1S/C54H32/c1-4-13-43-33(10-1)20-25-39-31-52(46-16-7-8-17-48(46)53(39)43)38-24-22-34-28-37(23-21-35(34)29-38)51-32-40(30-36-11-2-3-12-41(36)51)42-26-27-50-45-15-6-5-14-44(45)49-19-9-18-47(42)54(49)50/h1-32H
InChIKeyJPKRQGLMZBPOCG-UHFFFAOYSA-N
MW680.85 g/mol
LogP15.25
Rot. Bonds3

About 5-[6-(3-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-2-yl]benzo[c]phenanthrene

5-[6-(3-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-2-yl]benzo[c]phenanthrene (PubChem CID 59524163) has the molecular formula C54H32 and a molecular weight of 680.85 g/mol. Its IUPAC name is 5-[6-(3-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-2-yl]benzo[c]phenanthrene.

Molecular Properties

Compound Name5-[6-(3-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-2-yl]benzo[c]phenanthrene
PubChem CID59524163
Molecular FormulaC54H32
Molecular Weight680.85 g/mol
Exact Mass680.25
IUPAC Name5-[6-(3-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-2-yl]benzo[c]phenanthrene
SMILESc1ccc2c(c1)-c1cccc3c(-c4cc(-c5ccc6cc(-c7cc8ccc9ccccc9c8c8ccccc78)ccc6c5)c5ccccc5c4)ccc-2c13
InChIInChI=1S/C54H32/c1-4-13-43-33(10-1)20-25-39-31-52(46-16-7-8-17-48(46)53(39)43)38-24-22-34-28-37(23-21-35(34)29-38)51-32-40(30-36-11-2-3-12-41(36)51)42-26-27-50-45-15-6-5-14-44(45)49-19-9-18-47(42)54(49)50/h1-32H
InChIKeyJPKRQGLMZBPOCG-UHFFFAOYSA-N
XLogP15.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.85
LogP ≤ 515.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-[7-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
CID 58544615
3-(6-phenanthren-9-ylnaphthalen-2-yl)fluoranthene
CID 123939461
5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene
CID 59638777
6-[4-(7-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene
CID 58544674
4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 159717839
3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 166019533
3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 59805129
5-[3-(3-fluoranthen-2-ylphenyl)phenyl]benzo[c]phenanthrene
CID 140801778
3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene
CID 58544598
5-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
CID 58037147
3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 59524105
4-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)phenanthrene
CID 59638751

Frequently Asked Questions

What is the IUPAC name of 5-[6-(3-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-2-yl]benzo[c]phenanthrene?
The IUPAC name of 5-[6-(3-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-2-yl]benzo[c]phenanthrene (CID 59524163) is 5-[6-(3-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-2-yl]benzo[c]phenanthrene.
What is the SMILES notation for 5-[6-(3-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-2-yl]benzo[c]phenanthrene?
The canonical SMILES for 5-[6-(3-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-2-yl]benzo[c]phenanthrene is c1ccc2c(c1)-c1cccc3c(-c4cc(-c5ccc6cc(-c7cc8ccc9ccccc9c8c8ccccc78)ccc6c5)c5ccccc5c4)ccc-2c13.
What is the InChIKey of 5-[6-(3-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-2-yl]benzo[c]phenanthrene?
The InChIKey is JPKRQGLMZBPOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32/c1-4-13-43-33(10-1)20-25-39-31-52(46-16-7-8-17-48(46)53(39)43)38-24-22-34-28-37(23-21-35(34)29-38)51-32-40(30-36-11-2-3-12-41(36)51)42-26-27-50-45-15-6-5-14-44(45)49-19-9-18-47(42)54(49)50/h1-32H.
What are the key properties of 5-[6-(3-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-2-yl]benzo[c]phenanthrene?
5-[6-(3-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-2-yl]benzo[c]phenanthrene has a molecular weight of 680.85 g/mol, XLogP of 15.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(3-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-2-yl]benzo[c]phenanthrene is sourced from PubChem (CID 59524163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).