6-(3-fluoranthen-3-ylphenyl)isoquinoline

C31H19N — CID 121287554

IUPAC6-(3-fluoranthen-3-ylphenyl)isoquinoline
SMILESc1cc(-c2ccc3cnccc3c2)cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)c1
InChIInChI=1S/C31H19N/c1-2-8-27-26(7-1)29-10-4-9-28-25(13-14-30(27)31(28)29)23-6-3-5-20(18-23)21-11-12-24-19-32-16-15-22(24)17-21/h1-19H
InChIKeyVHHBYLGJKWIMIF-UHFFFAOYSA-N
MW405.50 g/mol
LogP8.37
Rot. Bonds2

About 6-(3-fluoranthen-3-ylphenyl)isoquinoline

6-(3-fluoranthen-3-ylphenyl)isoquinoline (PubChem CID 121287554) has the molecular formula C31H19N and a molecular weight of 405.50 g/mol. Its IUPAC name is 6-(3-fluoranthen-3-ylphenyl)isoquinoline.

Molecular Properties

Compound Name6-(3-fluoranthen-3-ylphenyl)isoquinoline
PubChem CID121287554
Molecular FormulaC31H19N
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC Name6-(3-fluoranthen-3-ylphenyl)isoquinoline
SMILESc1cc(-c2ccc3cnccc3c2)cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)c1
InChIInChI=1S/C31H19N/c1-2-8-27-26(7-1)29-10-4-9-28-25(13-14-30(27)31(28)29)23-6-3-5-20(18-23)21-11-12-24-19-32-16-15-22(24)17-21/h1-19H
InChIKeyVHHBYLGJKWIMIF-UHFFFAOYSA-N
XLogP8.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 59524105
6-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)isoquinoline
CID 59330329
3-(6-phenylnaphthalen-2-yl)fluoranthene
CID 123421019
3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene
CID 58544598
3-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene
CID 58544667
3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene
CID 58995572
3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 166019533
2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 153466310
4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 159717839
6-(3-isoquinolin-6-ylbenzo[c]phenanthren-8-yl)isoquinoline
CID 121287378
6-benzo[k]fluoranthen-3-yl-3-(3-naphthalen-2-ylphenyl)quinoline
CID 121287572
6-naphthalen-2-ylisoquinoline
CID 59724414

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoranthen-3-ylphenyl)isoquinoline?
The IUPAC name of 6-(3-fluoranthen-3-ylphenyl)isoquinoline (CID 121287554) is 6-(3-fluoranthen-3-ylphenyl)isoquinoline.
What is the SMILES notation for 6-(3-fluoranthen-3-ylphenyl)isoquinoline?
The canonical SMILES for 6-(3-fluoranthen-3-ylphenyl)isoquinoline is c1cc(-c2ccc3cnccc3c2)cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)c1.
What is the InChIKey of 6-(3-fluoranthen-3-ylphenyl)isoquinoline?
The InChIKey is VHHBYLGJKWIMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N/c1-2-8-27-26(7-1)29-10-4-9-28-25(13-14-30(27)31(28)29)23-6-3-5-20(18-23)21-11-12-24-19-32-16-15-22(24)17-21/h1-19H.
What are the key properties of 6-(3-fluoranthen-3-ylphenyl)isoquinoline?
6-(3-fluoranthen-3-ylphenyl)isoquinoline has a molecular weight of 405.50 g/mol, XLogP of 8.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoranthen-3-ylphenyl)isoquinoline is sourced from PubChem (CID 121287554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).