3-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]isoquinoline

C25H17N3 — CID 129133243

IUPAC3-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]isoquinoline
SMILESc1cc(-c2cncc(-c3ccncc3)c2)cc(-c2cc3ccccc3cn2)c1
InChIInChI=1S/C25H17N3/c1-2-5-22-17-28-25(14-20(22)4-1)21-7-3-6-19(12-21)24-13-23(15-27-16-24)18-8-10-26-11-9-18/h1-17H
InChIKeyJIQGOZCNKCEPMC-UHFFFAOYSA-N
MW359.43 g/mol
LogP6.03
Rot. Bonds3

About 3-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]isoquinoline

3-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]isoquinoline (PubChem CID 129133243) has the molecular formula C25H17N3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]isoquinoline.

Molecular Properties

Compound Name3-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]isoquinoline
PubChem CID129133243
Molecular FormulaC25H17N3
Molecular Weight359.43 g/mol
Exact Mass359.14
IUPAC Name3-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]isoquinoline
SMILESc1cc(-c2cncc(-c3ccncc3)c2)cc(-c2cc3ccccc3cn2)c1
InChIInChI=1S/C25H17N3/c1-2-5-22-17-28-25(14-20(22)4-1)21-7-3-6-19(12-21)24-13-23(15-27-16-24)18-8-10-26-11-9-18/h1-17H
InChIKeyJIQGOZCNKCEPMC-UHFFFAOYSA-N
XLogP6.03
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-azulen-2-ylisoquinoline
CID 139326489
3-[3-[4-[3-(3,5-diphenylphenyl)-5-phenylphenyl]-6-[3-phenyl-5-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]isoquinoline
CID 140786256
N,N-bis(3-isoquinolin-3-ylphenyl)pyridin-4-amine
CID 164822371
3-[3-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]phenyl]isoquinoline
CID 140786223
3-[3-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline
CID 140786454
3-[3-[4-(2-methylpropyl)phenyl]phenyl]isoquinoline
CID 170539197
4-[4-(3-phenylphenyl)phenyl]pyridine
CID 58943522
2-phenyl-4-(3-pyridin-4-ylphenyl)pyrimidine
CID 174849624
2-(3-naphthalen-2-ylphenyl)-9-pyridin-4-yl-1,10-phenanthroline
CID 134167550
3-[4-[2,6-bis(3-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 122427585
22-(3-isoquinolin-3-ylphenyl)-52,55-diaza-22-azoniatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene
CID 140920171
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]isoquinoline?
The IUPAC name of 3-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]isoquinoline (CID 129133243) is 3-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]isoquinoline.
What is the SMILES notation for 3-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]isoquinoline?
The canonical SMILES for 3-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]isoquinoline is c1cc(-c2cncc(-c3ccncc3)c2)cc(-c2cc3ccccc3cn2)c1.
What is the InChIKey of 3-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]isoquinoline?
The InChIKey is JIQGOZCNKCEPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3/c1-2-5-22-17-28-25(14-20(22)4-1)21-7-3-6-19(12-21)24-13-23(15-27-16-24)18-8-10-26-11-9-18/h1-17H.
What are the key properties of 3-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]isoquinoline?
3-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]isoquinoline has a molecular weight of 359.43 g/mol, XLogP of 6.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]isoquinoline is sourced from PubChem (CID 129133243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).