N-(10-naphthalen-1-ylanthracen-9-yl)-3-phenylpyridin-2-amine

C35H24N2 — CID 87440082

IUPACN-(10-naphthalen-1-ylanthracen-9-yl)-3-phenylpyridin-2-amine
SMILESc1ccc(-c2cccnc2Nc2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C35H24N2/c1-2-12-25(13-3-1)27-22-11-23-36-35(27)37-34-31-19-8-6-17-29(31)33(30-18-7-9-20-32(30)34)28-21-10-15-24-14-4-5-16-26(24)28/h1-23H,(H,36,37)
InChIKeyILUQPJHFZITGDI-UHFFFAOYSA-N
MW472.59 g/mol
LogP9.62
Rot. Bonds4

About N-(10-naphthalen-1-ylanthracen-9-yl)-3-phenylpyridin-2-amine

N-(10-naphthalen-1-ylanthracen-9-yl)-3-phenylpyridin-2-amine (PubChem CID 87440082) has the molecular formula C35H24N2 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-(10-naphthalen-1-ylanthracen-9-yl)-3-phenylpyridin-2-amine.

Molecular Properties

Compound NameN-(10-naphthalen-1-ylanthracen-9-yl)-3-phenylpyridin-2-amine
PubChem CID87440082
Molecular FormulaC35H24N2
Molecular Weight472.59 g/mol
Exact Mass472.19
IUPAC NameN-(10-naphthalen-1-ylanthracen-9-yl)-3-phenylpyridin-2-amine
SMILESc1ccc(-c2cccnc2Nc2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C35H24N2/c1-2-12-25(13-3-1)27-22-11-23-36-35(27)37-34-31-19-8-6-17-29(31)33(30-18-7-9-20-32(30)34)28-21-10-15-24-14-4-5-16-26(24)28/h1-23H,(H,36,37)
InChIKeyILUQPJHFZITGDI-UHFFFAOYSA-N
XLogP9.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 59.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(9-naphthalen-1-yl-10-phenylanthracen-1-yl)-3-phenylpyridine
CID 87436583
5-(5-naphthalen-1-yl-6-phenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline
CID 89178088
10-naphthalen-1-yl-5-[3-(4-phenylphenyl)phenyl]benzo[g]quinoline
CID 59183418
10-naphthalen-1-yl-1,9-bis(4-phenylphenyl)anthracene
CID 58322889
9,10-dinaphthalen-1-yl-2-(2-phenylphenyl)anthracene
CID 58875728
4-(10-naphthalen-1-ylanthracen-9-yl)pyridine
CID 89341882
9-(2,6-dinaphthalen-1-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 171447346
5-naphthalen-1-yl-12-phenyltetracene
CID 59307463
9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 58194514
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
7-naphthalen-1-yl-12-(4-phenylnaphthalen-1-yl)benzo[a]anthracene
CID 154011898
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenylpyridine
CID 121338692

Frequently Asked Questions

What is the IUPAC name of N-(10-naphthalen-1-ylanthracen-9-yl)-3-phenylpyridin-2-amine?
The IUPAC name of N-(10-naphthalen-1-ylanthracen-9-yl)-3-phenylpyridin-2-amine (CID 87440082) is N-(10-naphthalen-1-ylanthracen-9-yl)-3-phenylpyridin-2-amine.
What is the SMILES notation for N-(10-naphthalen-1-ylanthracen-9-yl)-3-phenylpyridin-2-amine?
The canonical SMILES for N-(10-naphthalen-1-ylanthracen-9-yl)-3-phenylpyridin-2-amine is c1ccc(-c2cccnc2Nc2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)cc1.
What is the InChIKey of N-(10-naphthalen-1-ylanthracen-9-yl)-3-phenylpyridin-2-amine?
The InChIKey is ILUQPJHFZITGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N2/c1-2-12-25(13-3-1)27-22-11-23-36-35(27)37-34-31-19-8-6-17-29(31)33(30-18-7-9-20-32(30)34)28-21-10-15-24-14-4-5-16-26(24)28/h1-23H,(H,36,37).
What are the key properties of N-(10-naphthalen-1-ylanthracen-9-yl)-3-phenylpyridin-2-amine?
N-(10-naphthalen-1-ylanthracen-9-yl)-3-phenylpyridin-2-amine has a molecular weight of 472.59 g/mol, XLogP of 9.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-naphthalen-1-ylanthracen-9-yl)-3-phenylpyridin-2-amine is sourced from PubChem (CID 87440082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).