4-[4-(4-naphthalen-1-ylphenyl)pyrimidin-2-yl]benzonitrile

C27H17N3 — CID 155079126

IUPAC4-[4-(4-naphthalen-1-ylphenyl)pyrimidin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nccc(-c3ccc(-c4cccc5ccccc45)cc3)n2)cc1
InChIInChI=1S/C27H17N3/c28-18-19-8-10-23(11-9-19)27-29-17-16-26(30-27)22-14-12-21(13-15-22)25-7-3-5-20-4-1-2-6-24(20)25/h1-17H
InChIKeyOIPVZIXUYJGITN-UHFFFAOYSA-N
MW383.45 g/mol
LogP6.50
Rot. Bonds3

About 4-[4-(4-naphthalen-1-ylphenyl)pyrimidin-2-yl]benzonitrile

4-[4-(4-naphthalen-1-ylphenyl)pyrimidin-2-yl]benzonitrile (PubChem CID 155079126) has the molecular formula C27H17N3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-[4-(4-naphthalen-1-ylphenyl)pyrimidin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-(4-naphthalen-1-ylphenyl)pyrimidin-2-yl]benzonitrile
PubChem CID155079126
Molecular FormulaC27H17N3
Molecular Weight383.45 g/mol
Exact Mass383.14
IUPAC Name4-[4-(4-naphthalen-1-ylphenyl)pyrimidin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nccc(-c3ccc(-c4cccc5ccccc45)cc3)n2)cc1
InChIInChI=1S/C27H17N3/c28-18-19-8-10-23(11-9-19)27-29-17-16-26(30-27)22-14-12-21(13-15-22)25-7-3-5-20-4-1-2-6-24(20)25/h1-17H
InChIKeyOIPVZIXUYJGITN-UHFFFAOYSA-N
XLogP6.50
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[4-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 162490340
4-[2-[5-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 122448003
4-[3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
CID 142487935
4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidine
CID 166977802
4-[3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]naphthalen-1-yl]benzonitrile
CID 146653715
2-naphthalen-1-yl-4,6-bis(4-naphthalen-1-ylphenyl)pyrimidine
CID 129265535
4-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
CID 146653679
4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
CID 146653688
4-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]benzonitrile
CID 146326937
4-[4-(4,6-dinaphthalen-1-ylbenzo[h]quinolin-2-yl)phenyl]benzonitrile
CID 70958881
4-[6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile
CID 146654056
4-[3-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
CID 142488020

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-naphthalen-1-ylphenyl)pyrimidin-2-yl]benzonitrile?
The IUPAC name of 4-[4-(4-naphthalen-1-ylphenyl)pyrimidin-2-yl]benzonitrile (CID 155079126) is 4-[4-(4-naphthalen-1-ylphenyl)pyrimidin-2-yl]benzonitrile.
What is the SMILES notation for 4-[4-(4-naphthalen-1-ylphenyl)pyrimidin-2-yl]benzonitrile?
The canonical SMILES for 4-[4-(4-naphthalen-1-ylphenyl)pyrimidin-2-yl]benzonitrile is N#Cc1ccc(-c2nccc(-c3ccc(-c4cccc5ccccc45)cc3)n2)cc1.
What is the InChIKey of 4-[4-(4-naphthalen-1-ylphenyl)pyrimidin-2-yl]benzonitrile?
The InChIKey is OIPVZIXUYJGITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N3/c28-18-19-8-10-23(11-9-19)27-29-17-16-26(30-27)22-14-12-21(13-15-22)25-7-3-5-20-4-1-2-6-24(20)25/h1-17H.
What are the key properties of 4-[4-(4-naphthalen-1-ylphenyl)pyrimidin-2-yl]benzonitrile?
4-[4-(4-naphthalen-1-ylphenyl)pyrimidin-2-yl]benzonitrile has a molecular weight of 383.45 g/mol, XLogP of 6.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-naphthalen-1-ylphenyl)pyrimidin-2-yl]benzonitrile is sourced from PubChem (CID 155079126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).