5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine-3-carbonitrile

C40H24N2 — CID 126502531

IUPAC5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2ccc3cc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)ccc3c2)c1
InChIInChI=1S/C40H24N2/c41-23-26-20-32(25-42-24-26)30-17-16-29-22-31(19-18-28(29)21-30)39-35-11-3-5-13-37(35)40(38-14-6-4-12-36(38)39)34-15-7-9-27-8-1-2-10-33(27)34/h1-22,24-25H
InChIKeyHGDLRLWMSCZGFB-UHFFFAOYSA-N
MW532.65 g/mol
LogP10.57
Rot. Bonds3

About 5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine-3-carbonitrile

5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine-3-carbonitrile (PubChem CID 126502531) has the molecular formula C40H24N2 and a molecular weight of 532.65 g/mol. Its IUPAC name is 5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine-3-carbonitrile
PubChem CID126502531
Molecular FormulaC40H24N2
Molecular Weight532.65 g/mol
Exact Mass532.19
IUPAC Name5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2ccc3cc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)ccc3c2)c1
InChIInChI=1S/C40H24N2/c41-23-26-20-32(25-42-24-26)30-17-16-29-22-31(19-18-28(29)21-30)39-35-11-3-5-13-37(35)40(38-14-6-4-12-36(38)39)34-15-7-9-27-8-1-2-10-33(27)34/h1-22,24-25H
InChIKeyHGDLRLWMSCZGFB-UHFFFAOYSA-N
XLogP10.57
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.65
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[3-[12-[3-(5-cyano-3-pyridinyl)phenyl]tetracen-5-yl]phenyl]pyridine-3-carbonitrile
CID 126542142
9-naphthalen-1-yl-10-[6-(6-naphthalen-1-ylnaphthalen-2-yl)naphthalen-2-yl]anthracene
CID 123515173
5-[6-[10-(4-butylphenyl)anthracen-9-yl]naphthalen-2-yl]pyridine-3-carbonitrile
CID 126542215
3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzonitrile
CID 89026906
5-(3-spiro[benzo[c]fluorene-7,9'-fluorene]-10-ylphenyl)pyridine-3-carbonitrile
CID 118397292
9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 58876135
ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
methane;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 142384743
bis(9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene);9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 160765049
9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-2-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-phenylphenyl)anthracene
CID 159190052
9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 159702993
9-naphthalen-1-yl-10-(3-phenanthren-2-ylphenyl)anthracene
CID 58194236

Frequently Asked Questions

What is the IUPAC name of 5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine-3-carbonitrile (CID 126502531) is 5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine-3-carbonitrile is N#Cc1cncc(-c2ccc3cc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)ccc3c2)c1.
What is the InChIKey of 5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine-3-carbonitrile?
The InChIKey is HGDLRLWMSCZGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2/c41-23-26-20-32(25-42-24-26)30-17-16-29-22-31(19-18-28(29)21-30)39-35-11-3-5-13-37(35)40(38-14-6-4-12-36(38)39)34-15-7-9-27-8-1-2-10-33(27)34/h1-22,24-25H.
What are the key properties of 5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine-3-carbonitrile?
5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine-3-carbonitrile has a molecular weight of 532.65 g/mol, XLogP of 10.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 126502531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).