5-[7-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene

C50H30 — CID 58544615

IUPAC5-[7-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc(-c5ccc6ccc(-c7cc8ccc9ccccc9c8c8ccccc78)cc6c5)cc4)ccc-2c13
InChIInChI=1S/C50H30/c1-2-9-40-33(8-1)22-25-37-30-48(43-12-5-6-13-45(43)49(37)40)36-24-19-32-18-23-35(28-38(32)29-36)31-16-20-34(21-17-31)39-26-27-47-42-11-4-3-10-41(42)46-15-7-14-44(39)50(46)47/h1-30H
InChIKeyQEKWTJHCPLEHJZ-UHFFFAOYSA-N
MW630.79 g/mol
LogP14.10
Rot. Bonds3

About 5-[7-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene

5-[7-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene (PubChem CID 58544615) has the molecular formula C50H30 and a molecular weight of 630.79 g/mol. Its IUPAC name is 5-[7-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene.

Molecular Properties

Compound Name5-[7-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
PubChem CID58544615
Molecular FormulaC50H30
Molecular Weight630.79 g/mol
Exact Mass630.23
IUPAC Name5-[7-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc(-c5ccc6ccc(-c7cc8ccc9ccccc9c8c8ccccc78)cc6c5)cc4)ccc-2c13
InChIInChI=1S/C50H30/c1-2-9-40-33(8-1)22-25-37-30-48(43-12-5-6-13-45(43)49(37)40)36-24-19-32-18-23-35(28-38(32)29-36)31-16-20-34(21-17-31)39-26-27-47-42-11-4-3-10-41(42)46-15-7-14-44(39)50(46)47/h1-30H
InChIKeyQEKWTJHCPLEHJZ-UHFFFAOYSA-N
XLogP14.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.79
LogP ≤ 514.10
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

6-[4-(7-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene
CID 58544674
3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene
CID 58544598
5-[6-(3-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-2-yl]benzo[c]phenanthrene
CID 59524163
5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene
CID 59638777
5-(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)benzo[c]phenanthrene
CID 123689290
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
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
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
4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 159717839
3-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene
CID 58544667

Frequently Asked Questions

What is the IUPAC name of 5-[7-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene?
The IUPAC name of 5-[7-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene (CID 58544615) is 5-[7-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene.
What is the SMILES notation for 5-[7-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene?
The canonical SMILES for 5-[7-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene is c1ccc2c(c1)-c1cccc3c(-c4ccc(-c5ccc6ccc(-c7cc8ccc9ccccc9c8c8ccccc78)cc6c5)cc4)ccc-2c13.
What is the InChIKey of 5-[7-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene?
The InChIKey is QEKWTJHCPLEHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30/c1-2-9-40-33(8-1)22-25-37-30-48(43-12-5-6-13-45(43)49(37)40)36-24-19-32-18-23-35(28-38(32)29-36)31-16-20-34(21-17-31)39-26-27-47-42-11-4-3-10-41(42)46-15-7-14-44(39)50(46)47/h1-30H.
What are the key properties of 5-[7-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene?
5-[7-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene has a molecular weight of 630.79 g/mol, XLogP of 14.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene is sourced from PubChem (CID 58544615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).