6-(N-(10-naphthalen-1-ylanthracen-9-yl)anilino)pyridine-2-carbonitrile

C36H23N3 — CID 59390749

IUPAC6-(N-(10-naphthalen-1-ylanthracen-9-yl)anilino)pyridine-2-carbonitrile
SMILESN#Cc1cccc(N(c2ccccc2)c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)n1
InChIInChI=1S/C36H23N3/c37-24-26-14-11-23-34(38-26)39(27-15-2-1-3-16-27)36-32-20-8-6-18-30(32)35(31-19-7-9-21-33(31)36)29-22-10-13-25-12-4-5-17-28(25)29/h1-23H
InChIKeyNSZARSQAZZOJIN-UHFFFAOYSA-N
MW497.60 g/mol
LogP9.55
Rot. Bonds4

About 6-(N-(10-naphthalen-1-ylanthracen-9-yl)anilino)pyridine-2-carbonitrile

6-(N-(10-naphthalen-1-ylanthracen-9-yl)anilino)pyridine-2-carbonitrile (PubChem CID 59390749) has the molecular formula C36H23N3 and a molecular weight of 497.60 g/mol. Its IUPAC name is 6-(N-(10-naphthalen-1-ylanthracen-9-yl)anilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(N-(10-naphthalen-1-ylanthracen-9-yl)anilino)pyridine-2-carbonitrile
PubChem CID59390749
Molecular FormulaC36H23N3
Molecular Weight497.60 g/mol
Exact Mass497.19
IUPAC Name6-(N-(10-naphthalen-1-ylanthracen-9-yl)anilino)pyridine-2-carbonitrile
SMILESN#Cc1cccc(N(c2ccccc2)c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)n1
InChIInChI=1S/C36H23N3/c37-24-26-14-11-23-34(38-26)39(27-15-2-1-3-16-27)36-32-20-8-6-18-30(32)35(31-19-7-9-21-33(31)36)29-22-10-13-25-12-4-5-17-28(25)29/h1-23H
InChIKeyNSZARSQAZZOJIN-UHFFFAOYSA-N
XLogP9.55
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.60
LogP ≤ 59.55
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

6-(N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anilino)pyridine-2-carbonitrile
CID 59390733
10-naphthalen-1-yl-N-phenyl-N-(4-trimethylsilylnaphthalen-1-yl)anthracen-9-amine
CID 59861207
4-[4-(N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]anilino)phenyl]-N,N-diphenylaniline
CID 59221810
3-(10-naphthalen-1-ylanthracen-9-yl)-N,N-diphenylaniline
CID 164717619
10-naphthalen-1-yl-N-phenyl-N-(2-phenylphenyl)phenanthren-9-amine
CID 155303869
N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylisoquinolin-1-amine
CID 59390724
N-naphthalen-1-yl-N-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-13-amine
CID 23534512
1-naphthalen-1-yl-N,N-diphenylnaphthalen-2-amine
CID 163843201
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
9-N,10-N-dinaphthalen-1-yl-9-N,10-N-diphenylanthracene-9,10-diamine
CID 20665521
6-(naphthalen-1-ylamino)pyridine-2-carbonitrile
CID 64590026
9-naphthalen-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 58895480

Frequently Asked Questions

What is the IUPAC name of 6-(N-(10-naphthalen-1-ylanthracen-9-yl)anilino)pyridine-2-carbonitrile?
The IUPAC name of 6-(N-(10-naphthalen-1-ylanthracen-9-yl)anilino)pyridine-2-carbonitrile (CID 59390749) is 6-(N-(10-naphthalen-1-ylanthracen-9-yl)anilino)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(N-(10-naphthalen-1-ylanthracen-9-yl)anilino)pyridine-2-carbonitrile?
The canonical SMILES for 6-(N-(10-naphthalen-1-ylanthracen-9-yl)anilino)pyridine-2-carbonitrile is N#Cc1cccc(N(c2ccccc2)c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)n1.
What is the InChIKey of 6-(N-(10-naphthalen-1-ylanthracen-9-yl)anilino)pyridine-2-carbonitrile?
The InChIKey is NSZARSQAZZOJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N3/c37-24-26-14-11-23-34(38-26)39(27-15-2-1-3-16-27)36-32-20-8-6-18-30(32)35(31-19-7-9-21-33(31)36)29-22-10-13-25-12-4-5-17-28(25)29/h1-23H.
What are the key properties of 6-(N-(10-naphthalen-1-ylanthracen-9-yl)anilino)pyridine-2-carbonitrile?
6-(N-(10-naphthalen-1-ylanthracen-9-yl)anilino)pyridine-2-carbonitrile has a molecular weight of 497.60 g/mol, XLogP of 9.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-(10-naphthalen-1-ylanthracen-9-yl)anilino)pyridine-2-carbonitrile is sourced from PubChem (CID 59390749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).