3-[4-(4-phenylphenyl)-2-pyridinyl]naphthalene-1-carbonitrile

C28H18N2 — CID 169300994

IUPAC3-[4-(4-phenylphenyl)-2-pyridinyl]naphthalene-1-carbonitrile
SMILESN#Cc1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)ccn2)cc2ccccc12
InChIInChI=1S/C28H18N2/c29-19-26-17-25(16-24-8-4-5-9-27(24)26)28-18-23(14-15-30-28)22-12-10-21(11-13-22)20-6-2-1-3-7-20/h1-18H
InChIKeyIGJMYFYUISQBKR-UHFFFAOYSA-N
MW382.47 g/mol
LogP7.11
Rot. Bonds3

About 3-[4-(4-phenylphenyl)-2-pyridinyl]naphthalene-1-carbonitrile

3-[4-(4-phenylphenyl)-2-pyridinyl]naphthalene-1-carbonitrile (PubChem CID 169300994) has the molecular formula C28H18N2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 3-[4-(4-phenylphenyl)-2-pyridinyl]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name3-[4-(4-phenylphenyl)-2-pyridinyl]naphthalene-1-carbonitrile
PubChem CID169300994
Molecular FormulaC28H18N2
Molecular Weight382.47 g/mol
Exact Mass382.15
IUPAC Name3-[4-(4-phenylphenyl)-2-pyridinyl]naphthalene-1-carbonitrile
SMILESN#Cc1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)ccn2)cc2ccccc12
InChIInChI=1S/C28H18N2/c29-19-26-17-25(16-24-8-4-5-9-27(24)26)28-18-23(14-15-30-28)22-12-10-21(11-13-22)20-6-2-1-3-7-20/h1-18H
InChIKeyIGJMYFYUISQBKR-UHFFFAOYSA-N
XLogP7.11
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-2-[4-[3-(4-phenyl-2-pyridinyl)naphthalen-1-yl]oxynaphthalen-2-yl]pyridine
CID 153428879
2-phenyl-4-triphenylen-2-ylpyridine
CID 168743611
3-[7-(3-trimethylsilylphenyl)benzo[f]isoquinolin-4-yl]naphthalene-1-carbonitrile
CID 177293430
3-[7-(4-trimethylgermylphenyl)benzo[f]isoquinolin-4-yl]naphthalene-1-carbonitrile
CID 177293457
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222
osmium(2+);bis(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine)
CID 159449942
3-[3-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]naphthalene-1-carbonitrile
CID 168774831
2-(9,10-diphenylanthracen-2-yl)-4-phenylpyridine
CID 59722107
2-[4-[10-[4-(4-cyano-2-pyridinyl)phenyl]-3-phenylanthracen-9-yl]phenyl]pyridine-4-carbonitrile
CID 126541941
4-(3-phenylphenyl)-2-[4-[2-[3-[2-[4-[4-(3-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434672
[4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]phenyl]-trimethylgermane
CID 171764449
2-(4-cyanonaphthalen-2-yl)-1,3-thiazole-5-carboxylic acid
CID 45257153

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-phenylphenyl)-2-pyridinyl]naphthalene-1-carbonitrile?
The IUPAC name of 3-[4-(4-phenylphenyl)-2-pyridinyl]naphthalene-1-carbonitrile (CID 169300994) is 3-[4-(4-phenylphenyl)-2-pyridinyl]naphthalene-1-carbonitrile.
What is the SMILES notation for 3-[4-(4-phenylphenyl)-2-pyridinyl]naphthalene-1-carbonitrile?
The canonical SMILES for 3-[4-(4-phenylphenyl)-2-pyridinyl]naphthalene-1-carbonitrile is N#Cc1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)ccn2)cc2ccccc12.
What is the InChIKey of 3-[4-(4-phenylphenyl)-2-pyridinyl]naphthalene-1-carbonitrile?
The InChIKey is IGJMYFYUISQBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2/c29-19-26-17-25(16-24-8-4-5-9-27(24)26)28-18-23(14-15-30-28)22-12-10-21(11-13-22)20-6-2-1-3-7-20/h1-18H.
What are the key properties of 3-[4-(4-phenylphenyl)-2-pyridinyl]naphthalene-1-carbonitrile?
3-[4-(4-phenylphenyl)-2-pyridinyl]naphthalene-1-carbonitrile has a molecular weight of 382.47 g/mol, XLogP of 7.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-phenylphenyl)-2-pyridinyl]naphthalene-1-carbonitrile is sourced from PubChem (CID 169300994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).