4-[2-[6-(N-naphthalen-1-ylanilino)-3-pyridinyl]ethynyl]benzonitrile

C30H19N3 — CID 101394314

IUPAC4-[2-[6-(N-naphthalen-1-ylanilino)-3-pyridinyl]ethynyl]benzonitrile
SMILESN#Cc1ccc(C#Cc2ccc(N(c3ccccc3)c3cccc4ccccc34)nc2)cc1
InChIInChI=1S/C30H19N3/c31-21-24-16-13-23(14-17-24)15-18-25-19-20-30(32-22-25)33(27-9-2-1-3-10-27)29-12-6-8-26-7-4-5-11-28(26)29/h1-14,16-17,19-20,22H
InChIKeyCSQUJQCFGKPHPO-UHFFFAOYSA-N
MW421.50 g/mol
LogP6.98
Rot. Bonds3

About 4-[2-[6-(N-naphthalen-1-ylanilino)-3-pyridinyl]ethynyl]benzonitrile

4-[2-[6-(N-naphthalen-1-ylanilino)-3-pyridinyl]ethynyl]benzonitrile (PubChem CID 101394314) has the molecular formula C30H19N3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 4-[2-[6-(N-naphthalen-1-ylanilino)-3-pyridinyl]ethynyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[6-(N-naphthalen-1-ylanilino)-3-pyridinyl]ethynyl]benzonitrile
PubChem CID101394314
Molecular FormulaC30H19N3
Molecular Weight421.50 g/mol
Exact Mass421.16
IUPAC Name4-[2-[6-(N-naphthalen-1-ylanilino)-3-pyridinyl]ethynyl]benzonitrile
SMILESN#Cc1ccc(C#Cc2ccc(N(c3ccccc3)c3cccc4ccccc34)nc2)cc1
InChIInChI=1S/C30H19N3/c31-21-24-16-13-23(14-17-24)15-18-25-19-20-30(32-22-25)33(27-9-2-1-3-10-27)29-12-6-8-26-7-4-5-11-28(26)29/h1-14,16-17,19-20,22H
InChIKeyCSQUJQCFGKPHPO-UHFFFAOYSA-N
XLogP6.98
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[6-(4-cyano-N-naphthalen-1-ylanilino)pyren-1-yl]-naphthalen-1-ylamino]benzonitrile
CID 142691769
4-[10-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenanthren-9-yl]benzonitrile
CID 176766321
N,N-diphenylnaphthalen-1-amine
CID 11392281
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
5-fluoro-N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylpyridin-2-amine;6-(N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]anilino)pyridine-3-carbonitrile;N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N,6-diphenylpyridin-2-amine;N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-N-phenylpyridin-2-amine;N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;N-naphthalen-1-yl-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridin-2-amine
CID 162258367
9-N,10-N-dinaphthalen-1-yl-9-N,10-N-diphenylanthracene-9,10-diamine
CID 20665521
4-[N-naphthalen-1-yl-4-(7-pyridin-2-ylpyren-2-yl)anilino]benzonitrile
CID 90308102
1-N-naphthalen-1-yl-1-N,4-N,4-N-triphenylphenazine-1,4-diamine
CID 58895007
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-(N-naphthalen-1-ylanilino)-3-pyridinyl]ethynyl]benzonitrile?
The IUPAC name of 4-[2-[6-(N-naphthalen-1-ylanilino)-3-pyridinyl]ethynyl]benzonitrile (CID 101394314) is 4-[2-[6-(N-naphthalen-1-ylanilino)-3-pyridinyl]ethynyl]benzonitrile.
What is the SMILES notation for 4-[2-[6-(N-naphthalen-1-ylanilino)-3-pyridinyl]ethynyl]benzonitrile?
The canonical SMILES for 4-[2-[6-(N-naphthalen-1-ylanilino)-3-pyridinyl]ethynyl]benzonitrile is N#Cc1ccc(C#Cc2ccc(N(c3ccccc3)c3cccc4ccccc34)nc2)cc1.
What is the InChIKey of 4-[2-[6-(N-naphthalen-1-ylanilino)-3-pyridinyl]ethynyl]benzonitrile?
The InChIKey is CSQUJQCFGKPHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N3/c31-21-24-16-13-23(14-17-24)15-18-25-19-20-30(32-22-25)33(27-9-2-1-3-10-27)29-12-6-8-26-7-4-5-11-28(26)29/h1-14,16-17,19-20,22H.
What are the key properties of 4-[2-[6-(N-naphthalen-1-ylanilino)-3-pyridinyl]ethynyl]benzonitrile?
4-[2-[6-(N-naphthalen-1-ylanilino)-3-pyridinyl]ethynyl]benzonitrile has a molecular weight of 421.50 g/mol, XLogP of 6.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(N-naphthalen-1-ylanilino)-3-pyridinyl]ethynyl]benzonitrile is sourced from PubChem (CID 101394314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).