3-[3-(3,4,5-triphenylphenyl)phenyl]fluoranthene

C46H30 — CID 162426864

IUPAC3-[3-(3,4,5-triphenylphenyl)phenyl]fluoranthene
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3)cc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C46H30/c1-4-14-31(15-5-1)43-29-36(30-44(32-16-6-2-7-17-32)45(43)33-18-8-3-9-19-33)34-20-12-21-35(28-34)37-26-27-42-39-23-11-10-22-38(39)41-25-13-24-40(37)46(41)42/h1-30H
InChIKeyIWDYKVUOJQTFNZ-UHFFFAOYSA-N
MW582.75 g/mol
LogP12.82
Rot. Bonds5

About 3-[3-(3,4,5-triphenylphenyl)phenyl]fluoranthene

3-[3-(3,4,5-triphenylphenyl)phenyl]fluoranthene (PubChem CID 162426864) has the molecular formula C46H30 and a molecular weight of 582.75 g/mol. Its IUPAC name is 3-[3-(3,4,5-triphenylphenyl)phenyl]fluoranthene.

Molecular Properties

Compound Name3-[3-(3,4,5-triphenylphenyl)phenyl]fluoranthene
PubChem CID162426864
Molecular FormulaC46H30
Molecular Weight582.75 g/mol
Exact Mass582.23
IUPAC Name3-[3-(3,4,5-triphenylphenyl)phenyl]fluoranthene
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3)cc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C46H30/c1-4-14-31(15-5-1)43-29-36(30-44(32-16-6-2-7-17-32)45(43)33-18-8-3-9-19-33)34-20-12-21-35(28-34)37-26-27-42-39-23-11-10-22-38(39)41-25-13-24-40(37)46(41)42/h1-30H
InChIKeyIWDYKVUOJQTFNZ-UHFFFAOYSA-N
XLogP12.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.75
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]fluoranthene
CID 162426849
3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene
CID 58995572
6-[2-(3-fluoranthen-3-ylphenyl)phenyl]-2,3,4-triphenylpyridine
CID 170003415
3-(6-phenylnaphthalen-2-yl)fluoranthene
CID 123421019
7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane
CID 143739700
3-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene
CID 58544667
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[3-(2,3,5-triphenylphenyl)phenyl]aniline
CID 175802029
9-fluoranthen-2-yl-3,7,12-triphenylbenzo[k]fluoranthene
CID 59326181
3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 59524105
2-(4,5-diphenylnaphthalen-1-yl)-9-phenyl-10-(4-phenylphenyl)anthracene
CID 123360409
7,12-diphenyl-9-(8-phenylfluoranthen-3-yl)benzo[k]fluoranthene
CID 59326163
4-fluoranthen-8-yl-7,9,12-triphenylbenzo[k]fluoranthene
CID 58390175

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4,5-triphenylphenyl)phenyl]fluoranthene?
The IUPAC name of 3-[3-(3,4,5-triphenylphenyl)phenyl]fluoranthene (CID 162426864) is 3-[3-(3,4,5-triphenylphenyl)phenyl]fluoranthene.
What is the SMILES notation for 3-[3-(3,4,5-triphenylphenyl)phenyl]fluoranthene?
The canonical SMILES for 3-[3-(3,4,5-triphenylphenyl)phenyl]fluoranthene is c1ccc(-c2cc(-c3cccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3)cc(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 3-[3-(3,4,5-triphenylphenyl)phenyl]fluoranthene?
The InChIKey is IWDYKVUOJQTFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30/c1-4-14-31(15-5-1)43-29-36(30-44(32-16-6-2-7-17-32)45(43)33-18-8-3-9-19-33)34-20-12-21-35(28-34)37-26-27-42-39-23-11-10-22-38(39)41-25-13-24-40(37)46(41)42/h1-30H.
What are the key properties of 3-[3-(3,4,5-triphenylphenyl)phenyl]fluoranthene?
3-[3-(3,4,5-triphenylphenyl)phenyl]fluoranthene has a molecular weight of 582.75 g/mol, XLogP of 12.82, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4,5-triphenylphenyl)phenyl]fluoranthene is sourced from PubChem (CID 162426864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).