4-[6-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]pyridine-2-carbonitrile

C35H21N3 — CID 118397346

IUPAC4-[6-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2cccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)n2)ccn1
InChIInChI=1S/C35H21N3/c36-22-25-21-24(19-20-37-25)32-17-8-18-33(38-32)35-30-14-5-3-12-28(30)34(29-13-4-6-15-31(29)35)27-16-7-10-23-9-1-2-11-26(23)27/h1-21H
InChIKeyGCAMOWCJRUAQKT-UHFFFAOYSA-N
MW483.57 g/mol
LogP8.81
Rot. Bonds3

About 4-[6-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]pyridine-2-carbonitrile

4-[6-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]pyridine-2-carbonitrile (PubChem CID 118397346) has the molecular formula C35H21N3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 4-[6-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[6-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]pyridine-2-carbonitrile
PubChem CID118397346
Molecular FormulaC35H21N3
Molecular Weight483.57 g/mol
Exact Mass483.17
IUPAC Name4-[6-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2cccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)n2)ccn1
InChIInChI=1S/C35H21N3/c36-22-25-21-24(19-20-37-25)32-17-8-18-33(38-32)35-30-14-5-3-12-28(30)34(29-13-4-6-15-31(29)35)27-16-7-10-23-9-1-2-11-26(23)27/h1-21H
InChIKeyGCAMOWCJRUAQKT-UHFFFAOYSA-N
XLogP8.81
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.57
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-[6-[10-[10-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]anthracen-9-yl]anthracen-9-yl]-2-pyridinyl]pyridine-2-carbonitrile
CID 126542258
4-[6-[5-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-2-carbonitrile
CID 126542233
4-[6-[14-[6-(2-cyano-4-pyridinyl)-2-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-21-yl]-2-pyridinyl]pyridine-2-carbonitrile
CID 118398220
4-[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-2-carbonitrile
CID 118397204
4-[6-[9-[6-(2-isocyano-4-pyridinyl)-2-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]pyridine-2-carbonitrile
CID 140769007
4-[6-[9-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-2-pyridinyl]pyridine-2-carbonitrile
CID 118397326
4-[10-[10-(2-cyano-4-pyridinyl)anthracen-9-yl]anthracen-9-yl]pyridine-2-carbonitrile
CID 118397821
2-(9,10-dinaphthalen-1-ylanthracen-2-yl)-6-pyridin-2-ylpyridine
CID 90361806
4-[6-[7-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]dibenzothiophen-3-yl]-2-pyridinyl]pyridine-2-carbonitrile
CID 118397775
4-[3-(12-phenyltetracen-5-yl)phenyl]pyridine-2-carbonitrile
CID 118397252
4-[6-[6-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-2-pyridinyl]pyridine-2-carbonitrile
CID 118397715
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenylpyridine
CID 121338692

Frequently Asked Questions

What is the IUPAC name of 4-[6-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[6-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]pyridine-2-carbonitrile (CID 118397346) is 4-[6-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[6-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[6-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]pyridine-2-carbonitrile is N#Cc1cc(-c2cccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)n2)ccn1.
What is the InChIKey of 4-[6-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]pyridine-2-carbonitrile?
The InChIKey is GCAMOWCJRUAQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N3/c36-22-25-21-24(19-20-37-25)32-17-8-18-33(38-32)35-30-14-5-3-12-28(30)34(29-13-4-6-15-31(29)35)27-16-7-10-23-9-1-2-11-26(23)27/h1-21H.
What are the key properties of 4-[6-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]pyridine-2-carbonitrile?
4-[6-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]pyridine-2-carbonitrile has a molecular weight of 483.57 g/mol, XLogP of 8.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]pyridine-2-carbonitrile is sourced from PubChem (CID 118397346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).