2-[3-[3-fluoranthen-3-yl-7-(3-pyridin-2-ylphenyl)benzo[k]fluoranthen-12-yl]phenyl]pyridine

C58H34N2 — CID 59629683

IUPAC2-[3-[3-fluoranthen-3-yl-7-(3-pyridin-2-ylphenyl)benzo[k]fluoranthen-12-yl]phenyl]pyridine
SMILESc1ccc(-c2cccc(-c3c4c(c(-c5cccc(-c6ccccn6)c5)c5ccccc35)-c3ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c5cccc-4c35)c2)nc1
InChIInChI=1S/C58H34N2/c1-2-18-40-39(17-1)43-21-11-22-44-41(27-29-48(40)55(43)44)42-28-30-50-56-45(42)23-12-24-49(56)57-53(37-15-9-13-35(33-37)51-25-5-7-31-59-51)46-19-3-4-20-47(46)54(58(50)57)38-16-10-14-36(34-38)52-26-6-8-32-60-52/h1-34H
InChIKeyPLFCOKGOQUTRGU-UHFFFAOYSA-N
MW758.92 g/mol
LogP15.57
Rot. Bonds5

About 2-[3-[3-fluoranthen-3-yl-7-(3-pyridin-2-ylphenyl)benzo[k]fluoranthen-12-yl]phenyl]pyridine

2-[3-[3-fluoranthen-3-yl-7-(3-pyridin-2-ylphenyl)benzo[k]fluoranthen-12-yl]phenyl]pyridine (PubChem CID 59629683) has the molecular formula C58H34N2 and a molecular weight of 758.92 g/mol. Its IUPAC name is 2-[3-[3-fluoranthen-3-yl-7-(3-pyridin-2-ylphenyl)benzo[k]fluoranthen-12-yl]phenyl]pyridine.

Molecular Properties

Compound Name2-[3-[3-fluoranthen-3-yl-7-(3-pyridin-2-ylphenyl)benzo[k]fluoranthen-12-yl]phenyl]pyridine
PubChem CID59629683
Molecular FormulaC58H34N2
Molecular Weight758.92 g/mol
Exact Mass758.27
IUPAC Name2-[3-[3-fluoranthen-3-yl-7-(3-pyridin-2-ylphenyl)benzo[k]fluoranthen-12-yl]phenyl]pyridine
SMILESc1ccc(-c2cccc(-c3c4c(c(-c5cccc(-c6ccccn6)c5)c5ccccc35)-c3ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c5cccc-4c35)c2)nc1
InChIInChI=1S/C58H34N2/c1-2-18-40-39(17-1)43-21-11-22-44-41(27-29-48(40)55(43)44)42-28-30-50-56-45(42)23-12-24-49(56)57-53(37-15-9-13-35(33-37)51-25-5-7-31-59-51)46-19-3-4-20-47(46)54(58(50)57)38-16-10-14-36(34-38)52-26-6-8-32-60-52/h1-34H
InChIKeyPLFCOKGOQUTRGU-UHFFFAOYSA-N
XLogP15.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.92
LogP ≤ 515.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]pyridine
CID 139394639
12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
CID 58988853
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
2-[3-[3-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine
CID 171724335
ethane;4-fluoranthen-3-yl-N-(4-fluoranthen-3-ylphenyl)-N-(4-pyridin-2-ylphenyl)aniline
CID 144605037
2-[4-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 88865382
2-[3-(3-phenylphenyl)-4-[2-[3-[2-[2-(3-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434547
2-[3-(6-naphthalen-1-ylpyren-1-yl)phenyl]-4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine
CID 118313976
2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine
CID 71534257
2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine
CID 118487396
3-[4-(10-fluoranthen-3-ylanthracen-9-yl)phenyl]fluoranthene;2-[10-fluoranthen-3-yl-9-(4-naphthalen-1-ylphenyl)anthracen-2-yl]pyridine;2-methyl-10-phenanthren-1-yl-9-(4-phenanthren-9-ylphenyl)anthracene;3-[4-(10-naphthalen-2-yl-2,6-diphenylanthracen-9-yl)phenyl]fluoranthene;9-naphthalen-2-yl-2,6-diphenyl-10-(3-phenylphenyl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)-2,6-diphenylanthracene
CID 160841400
2-[3-[2-[2-phenyl-3,4,5,6-tetrakis(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine
CID 153429623

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-fluoranthen-3-yl-7-(3-pyridin-2-ylphenyl)benzo[k]fluoranthen-12-yl]phenyl]pyridine?
The IUPAC name of 2-[3-[3-fluoranthen-3-yl-7-(3-pyridin-2-ylphenyl)benzo[k]fluoranthen-12-yl]phenyl]pyridine (CID 59629683) is 2-[3-[3-fluoranthen-3-yl-7-(3-pyridin-2-ylphenyl)benzo[k]fluoranthen-12-yl]phenyl]pyridine.
What is the SMILES notation for 2-[3-[3-fluoranthen-3-yl-7-(3-pyridin-2-ylphenyl)benzo[k]fluoranthen-12-yl]phenyl]pyridine?
The canonical SMILES for 2-[3-[3-fluoranthen-3-yl-7-(3-pyridin-2-ylphenyl)benzo[k]fluoranthen-12-yl]phenyl]pyridine is c1ccc(-c2cccc(-c3c4c(c(-c5cccc(-c6ccccn6)c5)c5ccccc35)-c3ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c5cccc-4c35)c2)nc1.
What is the InChIKey of 2-[3-[3-fluoranthen-3-yl-7-(3-pyridin-2-ylphenyl)benzo[k]fluoranthen-12-yl]phenyl]pyridine?
The InChIKey is PLFCOKGOQUTRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N2/c1-2-18-40-39(17-1)43-21-11-22-44-41(27-29-48(40)55(43)44)42-28-30-50-56-45(42)23-12-24-49(56)57-53(37-15-9-13-35(33-37)51-25-5-7-31-59-51)46-19-3-4-20-47(46)54(58(50)57)38-16-10-14-36(34-38)52-26-6-8-32-60-52/h1-34H.
What are the key properties of 2-[3-[3-fluoranthen-3-yl-7-(3-pyridin-2-ylphenyl)benzo[k]fluoranthen-12-yl]phenyl]pyridine?
2-[3-[3-fluoranthen-3-yl-7-(3-pyridin-2-ylphenyl)benzo[k]fluoranthen-12-yl]phenyl]pyridine has a molecular weight of 758.92 g/mol, XLogP of 15.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-fluoranthen-3-yl-7-(3-pyridin-2-ylphenyl)benzo[k]fluoranthen-12-yl]phenyl]pyridine is sourced from PubChem (CID 59629683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).