4-[4-(3,5-dicyano-2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-2,6-dipyridin-4-ylpyridine-3,5-dicarbonitrile

C40H20N10 — CID 12060550

IUPAC4-[4-(3,5-dicyano-2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-2,6-dipyridin-4-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(-c2ccncc2)nc(-c2ccncc2)c(C#N)c1-c1ccc(-c2c(C#N)c(-c3ccncc3)nc(-c3ccncc3)c2C#N)cc1
InChIInChI=1S/C40H20N10/c41-21-31-35(32(22-42)38(28-7-15-46-16-8-28)49-37(31)27-5-13-45-14-6-27)25-1-2-26(4-3-25)36-33(23-43)39(29-9-17-47-18-10-29)50-40(34(36)24-44)30-11-19-48-20-12-30/h1-20H
InChIKeyWUXUOKGABYQBAY-UHFFFAOYSA-N
MW640.67 g/mol
LogP7.55
Rot. Bonds6

About 4-[4-(3,5-dicyano-2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-2,6-dipyridin-4-ylpyridine-3,5-dicarbonitrile

4-[4-(3,5-dicyano-2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-2,6-dipyridin-4-ylpyridine-3,5-dicarbonitrile (PubChem CID 12060550) has the molecular formula C40H20N10 and a molecular weight of 640.67 g/mol. Its IUPAC name is 4-[4-(3,5-dicyano-2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-2,6-dipyridin-4-ylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name4-[4-(3,5-dicyano-2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-2,6-dipyridin-4-ylpyridine-3,5-dicarbonitrile
PubChem CID12060550
Molecular FormulaC40H20N10
Molecular Weight640.67 g/mol
Exact Mass640.19
IUPAC Name4-[4-(3,5-dicyano-2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-2,6-dipyridin-4-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(-c2ccncc2)nc(-c2ccncc2)c(C#N)c1-c1ccc(-c2c(C#N)c(-c3ccncc3)nc(-c3ccncc3)c2C#N)cc1
InChIInChI=1S/C40H20N10/c41-21-31-35(32(22-42)38(28-7-15-46-16-8-28)49-37(31)27-5-13-45-14-6-27)25-1-2-26(4-3-25)36-33(23-43)39(29-9-17-47-18-10-29)50-40(34(36)24-44)30-11-19-48-20-12-30/h1-20H
InChIKeyWUXUOKGABYQBAY-UHFFFAOYSA-N
XLogP7.55
TPSA172.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.67
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

4'-(4-Pyridyl)-2,2':6',2''-terpyridine
CID 11438308
2,6-Bis(2-pyridyl)-4-phenylpyridine
CID 4407216
2-Phenyl-5-[(5-phenyl-3-pyridinyl)methyl]pyridine
CID 73356736
2,2':4',2''-Terpyridine, 6'-(2-pyridinyl)-
CID 9972674
4-[5-(4-Pentylphenyl)pyridin-2-yl]benzonitrile
CID 640057
Nemertelline
CID 3042423
4'-(4-Methylphenyl)-2,2'-6',2''-terpyridine
CID 146114
N,N-bis(pyridin-2-ylmethyl)-1-[2-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]-4-pyridinyl]methanamine
CID 155519564
N,N-bis(pyridin-2-ylmethyl)-1-[4-[3-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)-2-pyridinyl]phenyl]methanamine
CID 155545664
N,N-bis(pyridin-2-ylmethyl)-1-[6-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]-3-pyridinyl]methanamine
CID 155546551
N,N-bis(pyridin-2-ylmethyl)-1-[2-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)-2-pyridinyl]-4-pyridinyl]methanamine
CID 155568146
4-[1-[4-(2,6-Dipyridin-2-yl-4-pyridinyl)phenyl]triazol-4-yl]benzonitrile
CID 162648316

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-dicyano-2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-2,6-dipyridin-4-ylpyridine-3,5-dicarbonitrile?
The IUPAC name of 4-[4-(3,5-dicyano-2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-2,6-dipyridin-4-ylpyridine-3,5-dicarbonitrile (CID 12060550) is 4-[4-(3,5-dicyano-2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-2,6-dipyridin-4-ylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 4-[4-(3,5-dicyano-2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-2,6-dipyridin-4-ylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 4-[4-(3,5-dicyano-2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-2,6-dipyridin-4-ylpyridine-3,5-dicarbonitrile is N#Cc1c(-c2ccncc2)nc(-c2ccncc2)c(C#N)c1-c1ccc(-c2c(C#N)c(-c3ccncc3)nc(-c3ccncc3)c2C#N)cc1.
What is the InChIKey of 4-[4-(3,5-dicyano-2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-2,6-dipyridin-4-ylpyridine-3,5-dicarbonitrile?
The InChIKey is WUXUOKGABYQBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H20N10/c41-21-31-35(32(22-42)38(28-7-15-46-16-8-28)49-37(31)27-5-13-45-14-6-27)25-1-2-26(4-3-25)36-33(23-43)39(29-9-17-47-18-10-29)50-40(34(36)24-44)30-11-19-48-20-12-30/h1-20H.
What are the key properties of 4-[4-(3,5-dicyano-2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-2,6-dipyridin-4-ylpyridine-3,5-dicarbonitrile?
4-[4-(3,5-dicyano-2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-2,6-dipyridin-4-ylpyridine-3,5-dicarbonitrile has a molecular weight of 640.67 g/mol, XLogP of 7.55, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-dicyano-2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-2,6-dipyridin-4-ylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 12060550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).