2-(1,2-dihydropyridin-2-yl)-6-(1,2-dihydropyridin-6-yl)-4-(3-fluoranthen-3-ylphenyl)pyridine

C37H27N3 — CID 126746442

IUPAC2-(1,2-dihydropyridin-2-yl)-6-(1,2-dihydropyridin-6-yl)-4-(3-fluoranthen-3-ylphenyl)pyridine
SMILESC1=CCNC(c2cc(-c3cccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3)cc(C3C=CC=CN3)n2)=C1
InChIInChI=1S/C37H27N3/c1-2-12-29-28(11-1)31-14-8-13-30-27(17-18-32(29)37(30)31)25-10-7-9-24(21-25)26-22-35(33-15-3-5-19-38-33)40-36(23-26)34-16-4-6-20-39-34/h1-19,21-23,33,38-39H,20H2
InChIKeyNXTDEHOSFZVNLK-UHFFFAOYSA-N
MW513.64 g/mol
LogP8.43
Rot. Bonds4

About 2-(1,2-dihydropyridin-2-yl)-6-(1,2-dihydropyridin-6-yl)-4-(3-fluoranthen-3-ylphenyl)pyridine

2-(1,2-dihydropyridin-2-yl)-6-(1,2-dihydropyridin-6-yl)-4-(3-fluoranthen-3-ylphenyl)pyridine (PubChem CID 126746442) has the molecular formula C37H27N3 and a molecular weight of 513.64 g/mol. Its IUPAC name is 2-(1,2-dihydropyridin-2-yl)-6-(1,2-dihydropyridin-6-yl)-4-(3-fluoranthen-3-ylphenyl)pyridine.

Molecular Properties

Compound Name2-(1,2-dihydropyridin-2-yl)-6-(1,2-dihydropyridin-6-yl)-4-(3-fluoranthen-3-ylphenyl)pyridine
PubChem CID126746442
Molecular FormulaC37H27N3
Molecular Weight513.64 g/mol
Exact Mass513.22
IUPAC Name2-(1,2-dihydropyridin-2-yl)-6-(1,2-dihydropyridin-6-yl)-4-(3-fluoranthen-3-ylphenyl)pyridine
SMILESC1=CCNC(c2cc(-c3cccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3)cc(C3C=CC=CN3)n2)=C1
InChIInChI=1S/C37H27N3/c1-2-12-29-28(11-1)31-14-8-13-30-27(17-18-32(29)37(30)31)25-10-7-9-24(21-25)26-22-35(33-15-3-5-19-38-33)40-36(23-26)34-16-4-6-20-39-34/h1-19,21-23,33,38-39H,20H2
InChIKeyNXTDEHOSFZVNLK-UHFFFAOYSA-N
XLogP8.43
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 58.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-[3,5-di(fluoranthen-3-yl)phenyl]-5-[4-(1,2-dihydropyridin-6-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine
CID 126746545
4-[3-[4-(1,2-dihydropyridin-6-yl)phenyl]-5-phenylphenyl]-2,6-diphenylpyridine
CID 122431199
2-[24-(1,2-dihydropyridin-2-yl)-11,18-bis(1,2-dihydropyridin-6-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9(14),10,12,15(20),16,18,23,25-dodecaen-5-yl]pyridine
CID 118861048
3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene
CID 58995572
2-(1,2-dihydropyridin-2-yl)-5-[3-[2-[3-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
CID 130312460
3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 59524105
2-[3-(1,2-dihydropyridin-6-yl)-5-triphenylen-2-ylphenyl]pyridine
CID 146359971
3-[3-(1,8a-dihydroquinolin-3-yl)-5-[3,5-di(fluoranthen-3-yl)phenyl]phenyl]-1,2-dihydroquinoline
CID 126746552
4-(3,5-diphenylphenyl)-2-fluoranthen-3-yl-6-phenylpyrimidine
CID 130355522
3-[3-(3,4,5-triphenylphenyl)phenyl]fluoranthene
CID 162426864
6-(3-fluoranthen-3-ylphenyl)isoquinoline
CID 121287554
3-(6-phenylnaphthalen-2-yl)fluoranthene
CID 123421019

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydropyridin-2-yl)-6-(1,2-dihydropyridin-6-yl)-4-(3-fluoranthen-3-ylphenyl)pyridine?
The IUPAC name of 2-(1,2-dihydropyridin-2-yl)-6-(1,2-dihydropyridin-6-yl)-4-(3-fluoranthen-3-ylphenyl)pyridine (CID 126746442) is 2-(1,2-dihydropyridin-2-yl)-6-(1,2-dihydropyridin-6-yl)-4-(3-fluoranthen-3-ylphenyl)pyridine.
What is the SMILES notation for 2-(1,2-dihydropyridin-2-yl)-6-(1,2-dihydropyridin-6-yl)-4-(3-fluoranthen-3-ylphenyl)pyridine?
The canonical SMILES for 2-(1,2-dihydropyridin-2-yl)-6-(1,2-dihydropyridin-6-yl)-4-(3-fluoranthen-3-ylphenyl)pyridine is C1=CCNC(c2cc(-c3cccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3)cc(C3C=CC=CN3)n2)=C1.
What is the InChIKey of 2-(1,2-dihydropyridin-2-yl)-6-(1,2-dihydropyridin-6-yl)-4-(3-fluoranthen-3-ylphenyl)pyridine?
The InChIKey is NXTDEHOSFZVNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27N3/c1-2-12-29-28(11-1)31-14-8-13-30-27(17-18-32(29)37(30)31)25-10-7-9-24(21-25)26-22-35(33-15-3-5-19-38-33)40-36(23-26)34-16-4-6-20-39-34/h1-19,21-23,33,38-39H,20H2.
What are the key properties of 2-(1,2-dihydropyridin-2-yl)-6-(1,2-dihydropyridin-6-yl)-4-(3-fluoranthen-3-ylphenyl)pyridine?
2-(1,2-dihydropyridin-2-yl)-6-(1,2-dihydropyridin-6-yl)-4-(3-fluoranthen-3-ylphenyl)pyridine has a molecular weight of 513.64 g/mol, XLogP of 8.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydropyridin-2-yl)-6-(1,2-dihydropyridin-6-yl)-4-(3-fluoranthen-3-ylphenyl)pyridine is sourced from PubChem (CID 126746442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).