3,4-dipyridin-2-yl-2-[4-(2-pyridin-2-yl-4-pyridinyl)-2-pyridinyl]pyridine

C30H20N6 — CID 91249315

IUPAC3,4-dipyridin-2-yl-2-[4-(2-pyridin-2-yl-4-pyridinyl)-2-pyridinyl]pyridine
SMILESc1ccc(-c2cc(-c3ccnc(-c4nccc(-c5ccccn5)c4-c4ccccn4)c3)ccn2)nc1
InChIInChI=1S/C30H20N6/c1-4-13-31-24(7-1)23-12-18-36-30(29(23)26-9-3-6-15-33-26)28-20-22(11-17-35-28)21-10-16-34-27(19-21)25-8-2-5-14-32-25/h1-20H
InChIKeyFWLJBJAMEXMKFH-UHFFFAOYSA-N
MW464.53 g/mol
LogP6.39
Rot. Bonds5

About 3,4-dipyridin-2-yl-2-[4-(2-pyridin-2-yl-4-pyridinyl)-2-pyridinyl]pyridine

3,4-dipyridin-2-yl-2-[4-(2-pyridin-2-yl-4-pyridinyl)-2-pyridinyl]pyridine (PubChem CID 91249315) has the molecular formula C30H20N6 and a molecular weight of 464.53 g/mol. Its IUPAC name is 3,4-dipyridin-2-yl-2-[4-(2-pyridin-2-yl-4-pyridinyl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name3,4-dipyridin-2-yl-2-[4-(2-pyridin-2-yl-4-pyridinyl)-2-pyridinyl]pyridine
PubChem CID91249315
Molecular FormulaC30H20N6
Molecular Weight464.53 g/mol
Exact Mass464.17
IUPAC Name3,4-dipyridin-2-yl-2-[4-(2-pyridin-2-yl-4-pyridinyl)-2-pyridinyl]pyridine
SMILESc1ccc(-c2cc(-c3ccnc(-c4nccc(-c5ccccn5)c4-c4ccccn4)c3)ccn2)nc1
InChIInChI=1S/C30H20N6/c1-4-13-31-24(7-1)23-12-18-36-30(29(23)26-9-3-6-15-33-26)28-20-22(11-17-35-28)21-10-16-34-27(19-21)25-8-2-5-14-32-25/h1-20H
InChIKeyFWLJBJAMEXMKFH-UHFFFAOYSA-N
XLogP6.39
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.53
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
N,N,N',N'-Tetrakis(2-pyridylmethyl)ethylenediamine
CID 5519
4,4'-Dimethyl-2,2'-bipyridine
CID 14338
2,3'-Bipyridine
CID 11389
2,2':6',2''-Terpyridine
CID 70848
2,4'-Bipyridine
CID 68488
BC-1215
CID 72201045
Anabasamine
CID 161313
4-(4-Methylpiperazino)-2-(2-pyridyl)quinoline
CID 453063
Quinoline, 4-(4-methyl-1-piperazinyl)-2-(3-pyridinyl)-
CID 453068
2-(3-Pyridinyl)-1-azabicyclo(2.2.2)octane
CID 10176454
Anabasamine hydrochloride
CID 438950

Frequently Asked Questions

What is the IUPAC name of 3,4-dipyridin-2-yl-2-[4-(2-pyridin-2-yl-4-pyridinyl)-2-pyridinyl]pyridine?
The IUPAC name of 3,4-dipyridin-2-yl-2-[4-(2-pyridin-2-yl-4-pyridinyl)-2-pyridinyl]pyridine (CID 91249315) is 3,4-dipyridin-2-yl-2-[4-(2-pyridin-2-yl-4-pyridinyl)-2-pyridinyl]pyridine.
What is the SMILES notation for 3,4-dipyridin-2-yl-2-[4-(2-pyridin-2-yl-4-pyridinyl)-2-pyridinyl]pyridine?
The canonical SMILES for 3,4-dipyridin-2-yl-2-[4-(2-pyridin-2-yl-4-pyridinyl)-2-pyridinyl]pyridine is c1ccc(-c2cc(-c3ccnc(-c4nccc(-c5ccccn5)c4-c4ccccn4)c3)ccn2)nc1.
What is the InChIKey of 3,4-dipyridin-2-yl-2-[4-(2-pyridin-2-yl-4-pyridinyl)-2-pyridinyl]pyridine?
The InChIKey is FWLJBJAMEXMKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N6/c1-4-13-31-24(7-1)23-12-18-36-30(29(23)26-9-3-6-15-33-26)28-20-22(11-17-35-28)21-10-16-34-27(19-21)25-8-2-5-14-32-25/h1-20H.
What are the key properties of 3,4-dipyridin-2-yl-2-[4-(2-pyridin-2-yl-4-pyridinyl)-2-pyridinyl]pyridine?
3,4-dipyridin-2-yl-2-[4-(2-pyridin-2-yl-4-pyridinyl)-2-pyridinyl]pyridine has a molecular weight of 464.53 g/mol, XLogP of 6.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dipyridin-2-yl-2-[4-(2-pyridin-2-yl-4-pyridinyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 91249315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).