(Z)-2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-phenylprop-2-enenitrile

C36H24N4 — CID 135398456

IUPAC(Z)-2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-phenylprop-2-enenitrile
SMILESN#C/C(=C\c1ccccc1)c1ccc(-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1
InChIInChI=1S/C36H24N4/c37-25-32(22-26-8-2-1-3-9-26)30-18-14-28(15-19-30)27-12-16-29(17-13-27)31-23-35(33-10-4-6-20-38-33)40-36(24-31)34-11-5-7-21-39-34/h1-24H/b32-22+
InChIKeyWMLBMNWAYUFICU-WEMUVCOSSA-N
MW512.62 g/mol
LogP8.60
Rot. Bonds6

About (Z)-2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-phenylprop-2-enenitrile

(Z)-2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-phenylprop-2-enenitrile (PubChem CID 135398456) has the molecular formula C36H24N4 and a molecular weight of 512.62 g/mol. Its IUPAC name is (Z)-2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-phenylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-phenylprop-2-enenitrile
PubChem CID135398456
Molecular FormulaC36H24N4
Molecular Weight512.62 g/mol
Exact Mass512.20
IUPAC Name(Z)-2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-phenylprop-2-enenitrile
SMILESN#C/C(=C\c1ccccc1)c1ccc(-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1
InChIInChI=1S/C36H24N4/c37-25-32(22-26-8-2-1-3-9-26)30-18-14-28(15-19-30)27-12-16-29(17-13-27)31-23-35(33-10-4-6-20-38-33)40-36(24-31)34-11-5-7-21-39-34/h1-24H/b32-22+
InChIKeyWMLBMNWAYUFICU-WEMUVCOSSA-N
XLogP8.60
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.62
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(E)-2-phenyl-3-(4-phenylphenyl)prop-2-enenitrile
CID 6450896
(Z)-2-[4-[(Z)-1-cyano-2-(4-phenylphenyl)ethenyl]phenyl]-3-(4-phenylphenyl)prop-2-enenitrile
CID 59189377
4-[2-[4-(4-hydroxyphenyl)-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenol
CID 136661911
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 126730884
4-phenyl-2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-6-pyridin-2-ylpyridine;2-pyridin-2-yl-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyridine
CID 158535696
4-[4-[2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364716
(Z)-2,3-bis[4-(1,2,2-triphenylethenyl)phenyl]prop-2-enenitrile
CID 122394128
2-[4-(4-carboxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-4-carboxylic acid
CID 102183000
2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 126730905
2,4-diphenyl-6-[3-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrimidine
CID 164817029
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-phenylprop-2-enenitrile?
The IUPAC name of (Z)-2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-phenylprop-2-enenitrile (CID 135398456) is (Z)-2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-phenylprop-2-enenitrile.
What is the SMILES notation for (Z)-2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-phenylprop-2-enenitrile?
The canonical SMILES for (Z)-2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-phenylprop-2-enenitrile is N#C/C(=C\c1ccccc1)c1ccc(-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1.
What is the InChIKey of (Z)-2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-phenylprop-2-enenitrile?
The InChIKey is WMLBMNWAYUFICU-WEMUVCOSSA-N. The full InChI is InChI=1S/C36H24N4/c37-25-32(22-26-8-2-1-3-9-26)30-18-14-28(15-19-30)27-12-16-29(17-13-27)31-23-35(33-10-4-6-20-38-33)40-36(24-31)34-11-5-7-21-39-34/h1-24H/b32-22+.
What are the key properties of (Z)-2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-phenylprop-2-enenitrile?
(Z)-2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-phenylprop-2-enenitrile has a molecular weight of 512.62 g/mol, XLogP of 8.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-phenylprop-2-enenitrile is sourced from PubChem (CID 135398456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).