4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile

C50H32N2 — CID 146653688

IUPAC4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3cccc4c(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)cc5)cccc34)c3ccccc23)cc1
InChIInChI=1S/C50H32N2/c51-33-34-21-23-36(24-22-34)42-29-30-48(45-16-8-7-15-43(42)45)47-20-10-18-44-41(17-9-19-46(44)47)37-27-25-35(26-28-37)40-31-49(38-11-3-1-4-12-38)52-50(32-40)39-13-5-2-6-14-39/h1-32H
InChIKeyMPFPIKPUTSWCNT-UHFFFAOYSA-N
MW660.82 g/mol
LogP13.26
Rot. Bonds6

About 4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile

4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile (PubChem CID 146653688) has the molecular formula C50H32N2 and a molecular weight of 660.82 g/mol. Its IUPAC name is 4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
PubChem CID146653688
Molecular FormulaC50H32N2
Molecular Weight660.82 g/mol
Exact Mass660.26
IUPAC Name4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3cccc4c(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)cc5)cccc34)c3ccccc23)cc1
InChIInChI=1S/C50H32N2/c51-33-34-21-23-36(24-22-34)42-29-30-48(45-16-8-7-15-43(42)45)47-20-10-18-44-41(17-9-19-46(44)47)37-27-25-35(26-28-37)40-31-49(38-11-3-1-4-12-38)52-50(32-40)39-13-5-2-6-14-39/h1-32H
InChIKeyMPFPIKPUTSWCNT-UHFFFAOYSA-N
XLogP13.26
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.82
LogP ≤ 513.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[5-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 122448003
7-[4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]naphthalene-2-carbonitrile
CID 142488033
3-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 134317940
4-[5-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]fluoranthen-3-yl]benzonitrile
CID 165376337
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-[7-(4-cyanophenyl)-2,9-bis(4-phenylphenyl)-1,10-phenanthrolin-4-yl]benzonitrile
CID 70909439
4-(4-phenylquinolin-2-yl)benzonitrile;hydrochloride
CID 45354718
4-[4-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]fluoranthen-3-yl]benzonitrile
CID 165376420
4-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]fluoranthen-3-yl]benzonitrile
CID 165376116
4-[3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
CID 142487935
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-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile?
The IUPAC name of 4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile (CID 146653688) is 4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile.
What is the SMILES notation for 4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile?
The canonical SMILES for 4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile is N#Cc1ccc(-c2ccc(-c3cccc4c(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)cc5)cccc34)c3ccccc23)cc1.
What is the InChIKey of 4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile?
The InChIKey is MPFPIKPUTSWCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2/c51-33-34-21-23-36(24-22-34)42-29-30-48(45-16-8-7-15-43(42)45)47-20-10-18-44-41(17-9-19-46(44)47)37-27-25-35(26-28-37)40-31-49(38-11-3-1-4-12-38)52-50(32-40)39-13-5-2-6-14-39/h1-32H.
What are the key properties of 4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile?
4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile has a molecular weight of 660.82 g/mol, XLogP of 13.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile is sourced from PubChem (CID 146653688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).