5-[6-[4-[6-(5-isocyano-3-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-3-carbonitrile

C32H18N6 — CID 140769229

IUPAC5-[6-[4-[6-(5-isocyano-3-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-3-carbonitrile
SMILES[C-]#[N+]c1cncc(-c2cccc(-c3ccc(-c4cccc(-c5cncc(C#N)c5)n4)c4ccccc34)n2)c1
InChIInChI=1S/C32H18N6/c1-34-24-15-23(19-36-20-24)30-9-5-11-32(38-30)28-13-12-27(25-6-2-3-7-26(25)28)31-10-4-8-29(37-31)22-14-21(16-33)17-35-18-22/h2-15,17-20H
InChIKeyBRYMIHYSOFMJDV-UHFFFAOYSA-N
MW486.54 g/mol
LogP7.51
Rot. Bonds4

About 5-[6-[4-[6-(5-isocyano-3-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-3-carbonitrile

5-[6-[4-[6-(5-isocyano-3-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-3-carbonitrile (PubChem CID 140769229) has the molecular formula C32H18N6 and a molecular weight of 486.54 g/mol. Its IUPAC name is 5-[6-[4-[6-(5-isocyano-3-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[6-[4-[6-(5-isocyano-3-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-3-carbonitrile
PubChem CID140769229
Molecular FormulaC32H18N6
Molecular Weight486.54 g/mol
Exact Mass486.16
IUPAC Name5-[6-[4-[6-(5-isocyano-3-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-3-carbonitrile
SMILES[C-]#[N+]c1cncc(-c2cccc(-c3ccc(-c4cccc(-c5cncc(C#N)c5)n4)c4ccccc34)n2)c1
InChIInChI=1S/C32H18N6/c1-34-24-15-23(19-36-20-24)30-9-5-11-32(38-30)28-13-12-27(25-6-2-3-7-26(25)28)31-10-4-8-29(37-31)22-14-21(16-33)17-35-18-22/h2-15,17-20H
InChIKeyBRYMIHYSOFMJDV-UHFFFAOYSA-N
XLogP7.51
TPSA79.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.54
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 5-[6-[4-[6-(5-isocyano-3-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-3-carbonitrile with MolForge

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Related Compounds

5-[6-[10-[6-(5-isocyano-3-pyridinyl)-2-pyridinyl]anthracen-9-yl]-2-pyridinyl]pyridine-3-carbonitrile
CID 140769287
5-[4-[4-(5-isocyano-3-pyridinyl)naphthalen-1-yl]naphthalen-1-yl]pyridine-3-carbonitrile
CID 140769129
5-[3-[4-[3-(5-isocyano-3-pyridinyl)phenyl]naphthalen-1-yl]phenyl]pyridine-3-carbonitrile
CID 140769516
5-[3-[4-[4-[3-(5-isocyano-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]pyridine-3-carbonitrile
CID 140768910
5-[4-[10-[10-[4-(5-isocyano-3-pyridinyl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]pyridine-3-carbonitrile
CID 140768976
5-(6-naphtho[2,1-b][1]benzofuran-5-yl-2-pyridinyl)pyridine-3-carbonitrile
CID 118397923
5-[5-[3-[6-(5-cyano-3-pyridinyl)-3-pyridinyl]-5-[6-(5-isocyano-3-pyridinyl)-3-pyridinyl]phenyl]-2-pyridinyl]pyridine-3-carbonitrile
CID 140769223
2-[4-[4-[4-(4-isocyano-2-pyridinyl)phenyl]-2,3-diphenylnaphthalen-1-yl]phenyl]pyridine-4-carbonitrile;5-[4-[4-[4-(5-isocyano-3-pyridinyl)phenyl]-2,3-diphenylnaphthalen-1-yl]phenyl]pyridine-3-carbonitrile;2-[5-[4-[6-(4-isocyano-2-pyridinyl)-3-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-4-carbonitrile;4-[6-[4-[6-(2-isocyano-4-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-2-carbonitrile;5-[6-[4-[6-(5-isocyano-3-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-3-carbonitrile
CID 158003687
5-[6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)-2-pyridinyl]pyridine-3-carbonitrile
CID 118397208
5-[3-[8-[3-(5-isocyano-3-pyridinyl)phenyl]dibenzothiophen-2-yl]phenyl]pyridine-3-carbonitrile
CID 140769085
5-[21-(5-isocyano-3-pyridinyl)-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-14-yl]pyridine-3-carbonitrile
CID 140769149
5-(6-dibenzothiophen-3-yl-2-pyridinyl)pyridine-3-carbonitrile
CID 118397385

Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-[6-(5-isocyano-3-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[6-[4-[6-(5-isocyano-3-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-3-carbonitrile (CID 140769229) is 5-[6-[4-[6-(5-isocyano-3-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[6-[4-[6-(5-isocyano-3-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[6-[4-[6-(5-isocyano-3-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-3-carbonitrile is [C-]#[N+]c1cncc(-c2cccc(-c3ccc(-c4cccc(-c5cncc(C#N)c5)n4)c4ccccc34)n2)c1.
What is the InChIKey of 5-[6-[4-[6-(5-isocyano-3-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-3-carbonitrile?
The InChIKey is BRYMIHYSOFMJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N6/c1-34-24-15-23(19-36-20-24)30-9-5-11-32(38-30)28-13-12-27(25-6-2-3-7-26(25)28)31-10-4-8-29(37-31)22-14-21(16-33)17-35-18-22/h2-15,17-20H.
What are the key properties of 5-[6-[4-[6-(5-isocyano-3-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-3-carbonitrile?
5-[6-[4-[6-(5-isocyano-3-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-3-carbonitrile has a molecular weight of 486.54 g/mol, XLogP of 7.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-[6-(5-isocyano-3-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-3-carbonitrile is sourced from PubChem (CID 140769229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).