3-phenyl-4-pyridin-3-ylisoquinoline

C20H14N2 — CID 11832880

IUPAC3-phenyl-4-pyridin-3-ylisoquinoline
SMILESc1ccc(-c2ncc3ccccc3c2-c2cccnc2)cc1
InChIInChI=1S/C20H14N2/c1-2-7-15(8-3-1)20-19(17-10-6-12-21-13-17)18-11-5-4-9-16(18)14-22-20/h1-14H
InChIKeyIWJZRVDEEVOKKC-UHFFFAOYSA-N
MW282.35 g/mol
LogP4.96
Rot. Bonds2

About 3-phenyl-4-pyridin-3-ylisoquinoline

3-phenyl-4-pyridin-3-ylisoquinoline (PubChem CID 11832880) has the molecular formula C20H14N2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-phenyl-4-pyridin-3-ylisoquinoline.

Molecular Properties

Compound Name3-phenyl-4-pyridin-3-ylisoquinoline
PubChem CID11832880
Molecular FormulaC20H14N2
Molecular Weight282.35 g/mol
Exact Mass282.12
IUPAC Name3-phenyl-4-pyridin-3-ylisoquinoline
SMILESc1ccc(-c2ncc3ccccc3c2-c2cccnc2)cc1
InChIInChI=1S/C20H14N2/c1-2-7-15(8-3-1)20-19(17-10-6-12-21-13-17)18-11-5-4-9-16(18)14-22-20/h1-14H
InChIKeyIWJZRVDEEVOKKC-UHFFFAOYSA-N
XLogP4.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-phenylisoquinoline
CID 152778536
2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)naphthalen-1-yl]quinoxaline
CID 164771476
3,4-bis(3-methoxyphenyl)isoquinoline
CID 177415076
2-phenyl-3-[6-(10-pyridin-3-ylanthracen-9-yl)naphthalen-2-yl]quinoxaline
CID 164771483
3-(4-methoxyphenyl)-4-(4-methylphenyl)isoquinoline
CID 122403203
4-phenylisoquinolin-3-amine
CID 21162095
3-[4-[10-(3-phenyl-4-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]isoquinoline
CID 118563946
2-[2,5-dimethyl-4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-3-phenylquinoxaline
CID 164771460
1,3-dihydroimidazole-2-thione;9-pyridin-3-ylacridine
CID 88528366
2-(3-anthracen-9-ylphenyl)-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 135189619
10-isoquinolin-3-yl-5-phenylbenzo[g]isoquinoline
CID 59183169
3-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]pyridine
CID 58963342

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-pyridin-3-ylisoquinoline?
The IUPAC name of 3-phenyl-4-pyridin-3-ylisoquinoline (CID 11832880) is 3-phenyl-4-pyridin-3-ylisoquinoline.
What is the SMILES notation for 3-phenyl-4-pyridin-3-ylisoquinoline?
The canonical SMILES for 3-phenyl-4-pyridin-3-ylisoquinoline is c1ccc(-c2ncc3ccccc3c2-c2cccnc2)cc1.
What is the InChIKey of 3-phenyl-4-pyridin-3-ylisoquinoline?
The InChIKey is IWJZRVDEEVOKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2/c1-2-7-15(8-3-1)20-19(17-10-6-12-21-13-17)18-11-5-4-9-16(18)14-22-20/h1-14H.
What are the key properties of 3-phenyl-4-pyridin-3-ylisoquinoline?
3-phenyl-4-pyridin-3-ylisoquinoline has a molecular weight of 282.35 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-pyridin-3-ylisoquinoline is sourced from PubChem (CID 11832880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).