3-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine

C28H24N2 — CID 126746614

IUPAC3-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine
SMILESC1=CNCC(c2ccc(-c3cccc(-c4ccc(C5=CNCC=C5)cc4)c3)cc2)=C1
InChIInChI=1S/C28H24N2/c1-4-25(21-8-12-23(13-9-21)27-6-2-16-29-19-27)18-26(5-1)22-10-14-24(15-11-22)28-7-3-17-30-20-28/h1-16,18,20,29-30H,17,19H2
InChIKeyGBPPHFGXFBIJPI-UHFFFAOYSA-N
MW388.51 g/mol
LogP6.02
Rot. Bonds4

About 3-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine

3-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine (PubChem CID 126746614) has the molecular formula C28H24N2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 3-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine.

Molecular Properties

Compound Name3-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine
PubChem CID126746614
Molecular FormulaC28H24N2
Molecular Weight388.51 g/mol
Exact Mass388.19
IUPAC Name3-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine
SMILESC1=CNCC(c2ccc(-c3cccc(-c4ccc(C5=CNCC=C5)cc4)c3)cc2)=C1
InChIInChI=1S/C28H24N2/c1-4-25(21-8-12-23(13-9-21)27-6-2-16-29-19-27)18-26(5-1)22-10-14-24(15-11-22)28-7-3-17-30-20-28/h1-16,18,20,29-30H,17,19H2
InChIKeyGBPPHFGXFBIJPI-UHFFFAOYSA-N
XLogP6.02
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(1,2-dihydropyridin-5-yl)-5-[3-[3-(1,2-dihydropyridin-3-yl)-5-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine
CID 142301654
3-[4-[3-[3,5-di(fluoranthen-3-yl)phenyl]-5-[4-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine
CID 126746544
3-[3-(1,2-dihydropyridin-5-yl)-5-[3-[3-(1,2-dihydropyridin-3-yl)-5-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]pyridine
CID 144787828
3-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 118673055
8-[3-[3-[3-(1,2-dihydropyridin-3-yl)-5-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2(7),5,9,11,13,16,18,20-nonaene
CID 129301364
3-[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]-5-[3-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]pyridine
CID 144738838
3-[3-[4-[4-[4-[3-(1,2-dihydropyridin-5-yl)phenyl]phenyl]-5-[4-(3-pyridin-3-ylphenyl)phenyl]-1,2,4-triazol-3-yl]phenyl]phenyl]pyridine
CID 144863983
2-[3-[9-[3-(1,2-dihydropyridin-3-yl)phenyl]fluoren-9-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138632125
3-[3-[3-(3-bromophenyl)-5-[5-(1,2-dihydropyridin-3-yl)cyclohexa-1,5-dien-1-yl]phenyl]phenyl]pyridine
CID 89001223
1,2-dihydrocyclopenta[c]pyrrole
CID 70045748
1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane
CID 144938549
ethane;3-(3-phenylphenyl)cyclohepta-1,3,5-triene
CID 144739295

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine?
The IUPAC name of 3-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine (CID 126746614) is 3-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine.
What is the SMILES notation for 3-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine?
The canonical SMILES for 3-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine is C1=CNCC(c2ccc(-c3cccc(-c4ccc(C5=CNCC=C5)cc4)c3)cc2)=C1.
What is the InChIKey of 3-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine?
The InChIKey is GBPPHFGXFBIJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2/c1-4-25(21-8-12-23(13-9-21)27-6-2-16-29-19-27)18-26(5-1)22-10-14-24(15-11-22)28-7-3-17-30-20-28/h1-16,18,20,29-30H,17,19H2.
What are the key properties of 3-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine?
3-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine has a molecular weight of 388.51 g/mol, XLogP of 6.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine is sourced from PubChem (CID 126746614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).