N-(3-bromoanthracen-9-yl)-3-phenylpyridin-2-amine

C25H17BrN2 — CID 141227823

IUPACN-(3-bromoanthracen-9-yl)-3-phenylpyridin-2-amine
SMILESBrc1ccc2c(Nc3ncccc3-c3ccccc3)c3ccccc3cc2c1
InChIInChI=1S/C25H17BrN2/c26-20-12-13-22-19(16-20)15-18-9-4-5-10-21(18)24(22)28-25-23(11-6-14-27-25)17-7-2-1-3-8-17/h1-16H,(H,27,28)
InChIKeyALPRXAACOWTZSA-UHFFFAOYSA-N
MW425.33 g/mol
LogP7.56
Rot. Bonds3

About N-(3-bromoanthracen-9-yl)-3-phenylpyridin-2-amine

N-(3-bromoanthracen-9-yl)-3-phenylpyridin-2-amine (PubChem CID 141227823) has the molecular formula C25H17BrN2 and a molecular weight of 425.33 g/mol. Its IUPAC name is N-(3-bromoanthracen-9-yl)-3-phenylpyridin-2-amine.

Molecular Properties

Compound NameN-(3-bromoanthracen-9-yl)-3-phenylpyridin-2-amine
PubChem CID141227823
Molecular FormulaC25H17BrN2
Molecular Weight425.33 g/mol
Exact Mass424.06
IUPAC NameN-(3-bromoanthracen-9-yl)-3-phenylpyridin-2-amine
SMILESBrc1ccc2c(Nc3ncccc3-c3ccccc3)c3ccccc3cc2c1
InChIInChI=1S/C25H17BrN2/c26-20-12-13-22-19(16-20)15-18-9-4-5-10-21(18)24(22)28-25-23(11-6-14-27-25)17-7-2-1-3-8-17/h1-16H,(H,27,28)
InChIKeyALPRXAACOWTZSA-UHFFFAOYSA-N
XLogP7.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.33
LogP ≤ 57.56
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

7-bromo-N-(3-bromophenyl)isoquinolin-1-amine
CID 46879685
5-bromo-N-(naphthalen-1-ylmethyl)pyridin-2-amine
CID 975433
1-(1-Benzyl-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(isoquinolin-5-yl)urea
CID 10028367
7-N-[(3-bromophenyl)methyl]isoquinoline-1,7-diamine;dihydrochloride
CID 16680799
1-(5-bromo-2-pyridyl)-3-[(1S)-1-(1-naphthyl)ethyl]thiourea
CID 3003541
N7-[(3-bromophenyl)methyl]isoquinoline-1,7-diamine
CID 16680702
1-(5-bromo-2-pyridyl)-3-[(1R)-1-(1-naphthyl)ethyl]thiourea
CID 3003540
2-Pyridinamine, N-1-naphthalenyl-
CID 459528
N-biphenyl-2-yl-3-bromo-5-methylpyridine-2-amine
CID 58028152
N-(9,10-dinaphthalen-2-ylanthracen-2-yl)-N-pyridin-2-ylpyridin-2-amine
CID 58121663
N-(Pyren-1-yl)-N-(pyridin-2-yl)pyridin-2-amine
CID 60132553
N-anthracen-9-yl-N-pyridin-2-ylpyridin-2-amine
CID 90105027

Frequently Asked Questions

What is the IUPAC name of N-(3-bromoanthracen-9-yl)-3-phenylpyridin-2-amine?
The IUPAC name of N-(3-bromoanthracen-9-yl)-3-phenylpyridin-2-amine (CID 141227823) is N-(3-bromoanthracen-9-yl)-3-phenylpyridin-2-amine.
What is the SMILES notation for N-(3-bromoanthracen-9-yl)-3-phenylpyridin-2-amine?
The canonical SMILES for N-(3-bromoanthracen-9-yl)-3-phenylpyridin-2-amine is Brc1ccc2c(Nc3ncccc3-c3ccccc3)c3ccccc3cc2c1.
What is the InChIKey of N-(3-bromoanthracen-9-yl)-3-phenylpyridin-2-amine?
The InChIKey is ALPRXAACOWTZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BrN2/c26-20-12-13-22-19(16-20)15-18-9-4-5-10-21(18)24(22)28-25-23(11-6-14-27-25)17-7-2-1-3-8-17/h1-16H,(H,27,28).
What are the key properties of N-(3-bromoanthracen-9-yl)-3-phenylpyridin-2-amine?
N-(3-bromoanthracen-9-yl)-3-phenylpyridin-2-amine has a molecular weight of 425.33 g/mol, XLogP of 7.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromoanthracen-9-yl)-3-phenylpyridin-2-amine is sourced from PubChem (CID 141227823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).