3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]fluoranthene

C52H34 — CID 162426849

IUPAC3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]fluoranthene
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C52H34/c1-5-17-35(18-6-1)47-34-48(50(37-21-9-3-10-22-37)51(38-23-11-4-12-24-38)49(47)36-19-7-2-8-20-36)40-26-15-25-39(33-40)41-31-32-46-43-28-14-13-27-42(43)45-30-16-29-44(41)52(45)46/h1-34H
InChIKeyMXPOPUVEYNKKOV-UHFFFAOYSA-N
MW658.84 g/mol
LogP14.49
Rot. Bonds6

About 3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]fluoranthene

3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]fluoranthene (PubChem CID 162426849) has the molecular formula C52H34 and a molecular weight of 658.84 g/mol. Its IUPAC name is 3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]fluoranthene.

Molecular Properties

Compound Name3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]fluoranthene
PubChem CID162426849
Molecular FormulaC52H34
Molecular Weight658.84 g/mol
Exact Mass658.27
IUPAC Name3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]fluoranthene
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C52H34/c1-5-17-35(18-6-1)47-34-48(50(37-21-9-3-10-22-37)51(38-23-11-4-12-24-38)49(47)36-19-7-2-8-20-36)40-26-15-25-39(33-40)41-31-32-46-43-28-14-13-27-42(43)45-30-16-29-44(41)52(45)46/h1-34H
InChIKeyMXPOPUVEYNKKOV-UHFFFAOYSA-N
XLogP14.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.84
LogP ≤ 514.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[3-(3,4,5-triphenylphenyl)phenyl]fluoranthene
CID 162426864
3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene
CID 58995572
6-[2-(3-fluoranthen-3-ylphenyl)phenyl]-2,3,4-triphenylpyridine
CID 170003415
3-(4-fluoranthen-3-yl-2,3,5,6-tetramethylphenyl)fluoranthene;3-(4-fluoranthen-3-yl-2,3,5,6-tetraphenylphenyl)fluoranthene
CID 161477289
2-(4,5-diphenylnaphthalen-1-yl)-9-phenyl-10-(4-phenylphenyl)anthracene
CID 123360409
7,8,9,10-tetraphenyl-3-[7-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-2-yl]fluoranthene
CID 59805110
3-(6-phenylnaphthalen-2-yl)fluoranthene
CID 123421019
7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane
CID 143739700
7,16,23-triphenylheptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20(28),21,23,25-tetradecaene
CID 123235344
3-(3-methylphenyl)fluoranthene
CID 123478210
3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 59524105
1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(2-phenylphenyl)pyrene
CID 59391228

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]fluoranthene?
The IUPAC name of 3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]fluoranthene (CID 162426849) is 3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]fluoranthene.
What is the SMILES notation for 3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]fluoranthene?
The canonical SMILES for 3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]fluoranthene is c1ccc(-c2cc(-c3cccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]fluoranthene?
The InChIKey is MXPOPUVEYNKKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34/c1-5-17-35(18-6-1)47-34-48(50(37-21-9-3-10-22-37)51(38-23-11-4-12-24-38)49(47)36-19-7-2-8-20-36)40-26-15-25-39(33-40)41-31-32-46-43-28-14-13-27-42(43)45-30-16-29-44(41)52(45)46/h1-34H.
What are the key properties of 3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]fluoranthene?
3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]fluoranthene has a molecular weight of 658.84 g/mol, XLogP of 14.49, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]fluoranthene is sourced from PubChem (CID 162426849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).