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

C38H32N4 — CID 144787828

IUPAC3-[3-(1,2-dihydropyridin-5-yl)-5-[3-[3-(1,2-dihydropyridin-3-yl)-5-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]pyridine
SMILESC1=CNCC(c2cc(C3=CNCC=C3)cc(-c3cccc(-c4cc(C5=CNCC=C5)cc(-c5cccnc5)c4)c3)c2)=C1
InChIInChI=1S/C38H32N4/c1-6-27(33-17-35(29-8-2-12-39-23-29)21-36(18-33)30-9-3-13-40-24-30)16-28(7-1)34-19-37(31-10-4-14-41-25-31)22-38(20-34)32-11-5-15-42-26-32/h1-12,14,16-24,26,40-42H,13,15,25H2
InChIKeyMJLRNWWSNILNHX-UHFFFAOYSA-N
MW544.70 g/mol
LogP7.58
Rot. Bonds6

About 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

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 (PubChem CID 144787828) has the molecular formula C38H32N4 and a molecular weight of 544.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[3-(1,2-dihydropyridin-5-yl)-5-[3-[3-(1,2-dihydropyridin-3-yl)-5-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]pyridine
PubChem CID144787828
Molecular FormulaC38H32N4
Molecular Weight544.70 g/mol
Exact Mass544.26
IUPAC Name3-[3-(1,2-dihydropyridin-5-yl)-5-[3-[3-(1,2-dihydropyridin-3-yl)-5-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]pyridine
SMILESC1=CNCC(c2cc(C3=CNCC=C3)cc(-c3cccc(-c4cc(C5=CNCC=C5)cc(-c5cccnc5)c4)c3)c2)=C1
InChIInChI=1S/C38H32N4/c1-6-27(33-17-35(29-8-2-12-39-23-29)21-36(18-33)30-9-3-13-40-24-30)16-28(7-1)34-19-37(31-10-4-14-41-25-31)22-38(20-34)32-11-5-15-42-26-32/h1-12,14,16-24,26,40-42H,13,15,25H2
InChIKeyMJLRNWWSNILNHX-UHFFFAOYSA-N
XLogP7.58
TPSA48.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.70
LogP ≤ 57.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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-[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]-5-[3-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]pyridine
CID 144738838
3-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine
CID 126746614
3-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 118673055
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-[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
3-[3-[3-(3-bromophenyl)-5-[5-(1,2-dihydropyridin-3-yl)cyclohexa-1,5-dien-1-yl]phenyl]phenyl]pyridine
CID 89001223
3-[3-(1,2-dihydropyridin-5-yl)-5-[3-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-pyridin-3-ylphenyl]phenyl]phenyl]pyridine
CID 144799078
3-(1,2-dihydropyridin-5-yl)-5-[3-[3-(9,9-diphenylfluoren-4-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
CID 155116761
4-[10-[3-(1,2-dihydropyridin-3-yl)-5-pyridin-3-ylphenyl]anthracen-9-yl]-8-methyl-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,10,12,14-hexaene
CID 155052850
benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 158338475
2-[10-[3-(1,2-dihydropyridin-3-yl)-5-pyridin-3-ylphenyl]anthracen-9-yl]-6-methylidene-4a,5-dihydropyrido[1,2-b][1,2,4]benzothiadiazepine
CID 134389159

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CNCC(c2cc(C3=CNCC=C3)cc(-c3cccc(-c4cc(C5=CNCC=C5)cc(-c5cccnc5)c4)c3)c2)=C1.
What is the InChIKey of 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?
The InChIKey is MJLRNWWSNILNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N4/c1-6-27(33-17-35(29-8-2-12-39-23-29)21-36(18-33)30-9-3-13-40-24-30)16-28(7-1)34-19-37(31-10-4-14-41-25-31)22-38(20-34)32-11-5-15-42-26-32/h1-12,14,16-24,26,40-42H,13,15,25H2.
What are the key properties of 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?
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 has a molecular weight of 544.70 g/mol, XLogP of 7.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144787828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).