6-(1,2-benzoxazol-3-yl)-N-phenyl-N-(3-pyrrol-1-ylphenyl)pyridin-2-amine

C28H20N4O — CID 58704425

IUPAC6-(1,2-benzoxazol-3-yl)-N-phenyl-N-(3-pyrrol-1-ylphenyl)pyridin-2-amine
SMILESc1ccc(N(c2cccc(-n3cccc3)c2)c2cccc(-c3noc4ccccc34)n2)cc1
InChIInChI=1S/C28H20N4O/c1-2-10-21(11-3-1)32(23-13-8-12-22(20-23)31-18-6-7-19-31)27-17-9-15-25(29-27)28-24-14-4-5-16-26(24)33-30-28/h1-20H
InChIKeyACEARZHNQBEMRH-UHFFFAOYSA-N
MW428.50 g/mol
LogP7.15
Rot. Bonds5

About 6-(1,2-benzoxazol-3-yl)-N-phenyl-N-(3-pyrrol-1-ylphenyl)pyridin-2-amine

6-(1,2-benzoxazol-3-yl)-N-phenyl-N-(3-pyrrol-1-ylphenyl)pyridin-2-amine (PubChem CID 58704425) has the molecular formula C28H20N4O and a molecular weight of 428.50 g/mol. Its IUPAC name is 6-(1,2-benzoxazol-3-yl)-N-phenyl-N-(3-pyrrol-1-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(1,2-benzoxazol-3-yl)-N-phenyl-N-(3-pyrrol-1-ylphenyl)pyridin-2-amine
PubChem CID58704425
Molecular FormulaC28H20N4O
Molecular Weight428.50 g/mol
Exact Mass428.16
IUPAC Name6-(1,2-benzoxazol-3-yl)-N-phenyl-N-(3-pyrrol-1-ylphenyl)pyridin-2-amine
SMILESc1ccc(N(c2cccc(-n3cccc3)c2)c2cccc(-c3noc4ccccc34)n2)cc1
InChIInChI=1S/C28H20N4O/c1-2-10-21(11-3-1)32(23-13-8-12-22(20-23)31-18-6-7-19-31)27-17-9-15-25(29-27)28-24-14-4-5-16-26(24)33-30-28/h1-20H
InChIKeyACEARZHNQBEMRH-UHFFFAOYSA-N
XLogP7.15
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.50
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-6-pyridin-2-yl-N-(3-pyrrol-1-ylphenyl)pyridin-2-amine
CID 58704261
6-(4,5-dihydro-1,2-oxazol-3-yl)-N-phenyl-N-(3-pyrrol-1-ylphenyl)pyridin-2-amine
CID 58704182
N-[3-(1,2-benzoxazol-3-yl)benzene-2-id-1-yl]-N-phenyl-6-(2H-pyrrol-2-id-1-yl)pyridin-2-amine;platinum(2+)
CID 58704399
N,N-diphenyl-6-[9-[6-(N-phenylanilino)-2-pyridinyl]benzo[b]triphenylen-14-yl]pyridin-2-amine
CID 58855335
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2-benzoxazole
CID 153493031
N,N-diphenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]pyridin-2-amine
CID 23135801
N-phenyl-6-pyrrol-1-yl-N-[3-(1,2-thiazol-3-yl)phenyl]pyridin-2-amine
CID 58704429
6-[6-di(carbazol-9-yl)phosphoryl-2-pyridinyl]-N,N-diphenylpyridin-2-amine
CID 58518337
3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole
CID 10355283
N-(3-naphthalen-1-ylphenyl)-N-phenyl-6-pyrazol-1-ylpyridin-2-amine
CID 58704350
6-methyl-N,N-diphenylpyridin-2-amine
CID 101223687
6-(1,3-benzoxazol-2-yl)-2-naphthalen-1-yl-N,N-diphenylpyrimidin-4-amine
CID 58480079

Frequently Asked Questions

What is the IUPAC name of 6-(1,2-benzoxazol-3-yl)-N-phenyl-N-(3-pyrrol-1-ylphenyl)pyridin-2-amine?
The IUPAC name of 6-(1,2-benzoxazol-3-yl)-N-phenyl-N-(3-pyrrol-1-ylphenyl)pyridin-2-amine (CID 58704425) is 6-(1,2-benzoxazol-3-yl)-N-phenyl-N-(3-pyrrol-1-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 6-(1,2-benzoxazol-3-yl)-N-phenyl-N-(3-pyrrol-1-ylphenyl)pyridin-2-amine?
The canonical SMILES for 6-(1,2-benzoxazol-3-yl)-N-phenyl-N-(3-pyrrol-1-ylphenyl)pyridin-2-amine is c1ccc(N(c2cccc(-n3cccc3)c2)c2cccc(-c3noc4ccccc34)n2)cc1.
What is the InChIKey of 6-(1,2-benzoxazol-3-yl)-N-phenyl-N-(3-pyrrol-1-ylphenyl)pyridin-2-amine?
The InChIKey is ACEARZHNQBEMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N4O/c1-2-10-21(11-3-1)32(23-13-8-12-22(20-23)31-18-6-7-19-31)27-17-9-15-25(29-27)28-24-14-4-5-16-26(24)33-30-28/h1-20H.
What are the key properties of 6-(1,2-benzoxazol-3-yl)-N-phenyl-N-(3-pyrrol-1-ylphenyl)pyridin-2-amine?
6-(1,2-benzoxazol-3-yl)-N-phenyl-N-(3-pyrrol-1-ylphenyl)pyridin-2-amine has a molecular weight of 428.50 g/mol, XLogP of 7.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2-benzoxazol-3-yl)-N-phenyl-N-(3-pyrrol-1-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 58704425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).