5-[3-(3-fluoranthen-2-ylphenyl)phenyl]benzo[c]phenanthrene

C46H28 — CID 140801778

IUPAC5-[3-(3-fluoranthen-2-ylphenyl)phenyl]benzo[c]phenanthrene
SMILESc1cc(-c2cccc(-c3cc4ccc5ccccc5c4c4ccccc34)c2)cc(-c2cc3c4c(cccc4c2)-c2ccccc2-3)c1
InChIInChI=1S/C46H28/c1-2-16-37-29(10-1)22-23-35-27-43(40-19-5-6-20-41(40)45(35)37)33-14-8-12-31(25-33)30-11-7-13-32(24-30)36-26-34-15-9-21-42-38-17-3-4-18-39(38)44(28-36)46(34)42/h1-28H
InChIKeySKIRKNNPZILASZ-UHFFFAOYSA-N
MW580.73 g/mol
LogP12.95
Rot. Bonds3

About 5-[3-(3-fluoranthen-2-ylphenyl)phenyl]benzo[c]phenanthrene

5-[3-(3-fluoranthen-2-ylphenyl)phenyl]benzo[c]phenanthrene (PubChem CID 140801778) has the molecular formula C46H28 and a molecular weight of 580.73 g/mol. Its IUPAC name is 5-[3-(3-fluoranthen-2-ylphenyl)phenyl]benzo[c]phenanthrene.

Molecular Properties

Compound Name5-[3-(3-fluoranthen-2-ylphenyl)phenyl]benzo[c]phenanthrene
PubChem CID140801778
Molecular FormulaC46H28
Molecular Weight580.73 g/mol
Exact Mass580.22
IUPAC Name5-[3-(3-fluoranthen-2-ylphenyl)phenyl]benzo[c]phenanthrene
SMILESc1cc(-c2cccc(-c3cc4ccc5ccccc5c4c4ccccc34)c2)cc(-c2cc3c4c(cccc4c2)-c2ccccc2-3)c1
InChIInChI=1S/C46H28/c1-2-16-37-29(10-1)22-23-35-27-43(40-19-5-6-20-41(40)45(35)37)33-14-8-12-31(25-33)30-11-7-13-32(24-30)36-26-34-15-9-21-42-38-17-3-4-18-39(38)44(28-36)46(34)42/h1-28H
InChIKeySKIRKNNPZILASZ-UHFFFAOYSA-N
XLogP12.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.73
LogP ≤ 512.95
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

21-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 140801754
5-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
CID 58037147
5-fluoranthen-2-ylbenzo[c]phenanthrene;21-fluoranthen-2-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;2-fluoranthen-2-yltriphenylene;2-(2-naphthalen-1-ylphenyl)fluoranthene;2-(4-phenylnaphthalen-1-yl)fluoranthene
CID 160848654
5-[6-(3-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-2-yl]benzo[c]phenanthrene
CID 59524163
5-[7-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
CID 58544615
4-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)phenanthrene
CID 59638749
2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene
CID 140801800
5-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)benzo[c]phenanthrene
CID 59390472
5-(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)benzo[c]phenanthrene
CID 123689290
bis(5-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene);5-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene;5-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene
CID 160704726
4-[2-(3-fluoranthen-2-ylphenyl)phenyl]pyridine;2-[3-(3-phenanthren-9-ylphenyl)phenyl]fluoranthene;2-(3-phenylphenyl)fluoranthene
CID 160809603
5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene
CID 59638777

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-fluoranthen-2-ylphenyl)phenyl]benzo[c]phenanthrene?
The IUPAC name of 5-[3-(3-fluoranthen-2-ylphenyl)phenyl]benzo[c]phenanthrene (CID 140801778) is 5-[3-(3-fluoranthen-2-ylphenyl)phenyl]benzo[c]phenanthrene.
What is the SMILES notation for 5-[3-(3-fluoranthen-2-ylphenyl)phenyl]benzo[c]phenanthrene?
The canonical SMILES for 5-[3-(3-fluoranthen-2-ylphenyl)phenyl]benzo[c]phenanthrene is c1cc(-c2cccc(-c3cc4ccc5ccccc5c4c4ccccc34)c2)cc(-c2cc3c4c(cccc4c2)-c2ccccc2-3)c1.
What is the InChIKey of 5-[3-(3-fluoranthen-2-ylphenyl)phenyl]benzo[c]phenanthrene?
The InChIKey is SKIRKNNPZILASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28/c1-2-16-37-29(10-1)22-23-35-27-43(40-19-5-6-20-41(40)45(35)37)33-14-8-12-31(25-33)30-11-7-13-32(24-30)36-26-34-15-9-21-42-38-17-3-4-18-39(38)44(28-36)46(34)42/h1-28H.
What are the key properties of 5-[3-(3-fluoranthen-2-ylphenyl)phenyl]benzo[c]phenanthrene?
5-[3-(3-fluoranthen-2-ylphenyl)phenyl]benzo[c]phenanthrene has a molecular weight of 580.73 g/mol, XLogP of 12.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-fluoranthen-2-ylphenyl)phenyl]benzo[c]phenanthrene is sourced from PubChem (CID 140801778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).