N-(10-bromoanthracen-9-yl)-N-phenylpyridin-2-amine

C25H17BrN2 — CID 59390734

IUPACN-(10-bromoanthracen-9-yl)-N-phenylpyridin-2-amine
SMILESBrc1c2ccccc2c(N(c2ccccc2)c2ccccn2)c2ccccc12
InChIInChI=1S/C25H17BrN2/c26-24-19-12-4-6-14-21(19)25(22-15-7-5-13-20(22)24)28(18-10-2-1-3-11-18)23-16-8-9-17-27-23/h1-17H
InChIKeySTZOBGYGQZUPTQ-UHFFFAOYSA-N
MW425.33 g/mol
LogP7.62
Rot. Bonds3

About N-(10-bromoanthracen-9-yl)-N-phenylpyridin-2-amine

N-(10-bromoanthracen-9-yl)-N-phenylpyridin-2-amine (PubChem CID 59390734) has the molecular formula C25H17BrN2 and a molecular weight of 425.33 g/mol. Its IUPAC name is N-(10-bromoanthracen-9-yl)-N-phenylpyridin-2-amine.

Molecular Properties

Compound NameN-(10-bromoanthracen-9-yl)-N-phenylpyridin-2-amine
PubChem CID59390734
Molecular FormulaC25H17BrN2
Molecular Weight425.33 g/mol
Exact Mass424.06
IUPAC NameN-(10-bromoanthracen-9-yl)-N-phenylpyridin-2-amine
SMILESBrc1c2ccccc2c(N(c2ccccc2)c2ccccn2)c2ccccc12
InChIInChI=1S/C25H17BrN2/c26-24-19-12-4-6-14-21(19)25(22-15-7-5-13-20(22)24)28(18-10-2-1-3-11-18)23-16-8-9-17-27-23/h1-17H
InChIKeySTZOBGYGQZUPTQ-UHFFFAOYSA-N
XLogP7.62
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.33
LogP ≤ 57.62
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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Frequently Asked Questions

What is the IUPAC name of N-(10-bromoanthracen-9-yl)-N-phenylpyridin-2-amine?
The IUPAC name of N-(10-bromoanthracen-9-yl)-N-phenylpyridin-2-amine (CID 59390734) is N-(10-bromoanthracen-9-yl)-N-phenylpyridin-2-amine.
What is the SMILES notation for N-(10-bromoanthracen-9-yl)-N-phenylpyridin-2-amine?
The canonical SMILES for N-(10-bromoanthracen-9-yl)-N-phenylpyridin-2-amine is Brc1c2ccccc2c(N(c2ccccc2)c2ccccn2)c2ccccc12.
What is the InChIKey of N-(10-bromoanthracen-9-yl)-N-phenylpyridin-2-amine?
The InChIKey is STZOBGYGQZUPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BrN2/c26-24-19-12-4-6-14-21(19)25(22-15-7-5-13-20(22)24)28(18-10-2-1-3-11-18)23-16-8-9-17-27-23/h1-17H.
What are the key properties of N-(10-bromoanthracen-9-yl)-N-phenylpyridin-2-amine?
N-(10-bromoanthracen-9-yl)-N-phenylpyridin-2-amine has a molecular weight of 425.33 g/mol, XLogP of 7.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-bromoanthracen-9-yl)-N-phenylpyridin-2-amine is sourced from PubChem (CID 59390734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).