N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)-5-phenylphenyl]-2,4-dimethylpyridin-3-amine

C53H36N4O2 — CID 140881794

IUPACN,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)-5-phenylphenyl]-2,4-dimethylpyridin-3-amine
SMILESCc1ccnc(C)c1N(c1cc(-c2ccccc2)cc(-c2cc3c(cn2)oc2ccccc23)c1)c1cc(-c2ccccc2)cc(-c2cc3c(cn2)oc2ccccc23)c1
InChIInChI=1S/C53H36N4O2/c1-33-21-22-54-34(2)53(33)57(41-25-37(35-13-5-3-6-14-35)23-39(27-41)47-29-45-43-17-9-11-19-49(43)58-51(45)31-55-47)42-26-38(36-15-7-4-8-16-36)24-40(28-42)48-30-46-44-18-10-12-20-50(44)59-52(46)32-56-48/h3-32H,1-2H3
InChIKeyUICCLOUHQBPXNR-UHFFFAOYSA-N
MW760.90 g/mol
LogP14.43
Rot. Bonds7

About N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)-5-phenylphenyl]-2,4-dimethylpyridin-3-amine

N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)-5-phenylphenyl]-2,4-dimethylpyridin-3-amine (PubChem CID 140881794) has the molecular formula C53H36N4O2 and a molecular weight of 760.90 g/mol. Its IUPAC name is N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)-5-phenylphenyl]-2,4-dimethylpyridin-3-amine.

Molecular Properties

Compound NameN,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)-5-phenylphenyl]-2,4-dimethylpyridin-3-amine
PubChem CID140881794
Molecular FormulaC53H36N4O2
Molecular Weight760.90 g/mol
Exact Mass760.28
IUPAC NameN,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)-5-phenylphenyl]-2,4-dimethylpyridin-3-amine
SMILESCc1ccnc(C)c1N(c1cc(-c2ccccc2)cc(-c2cc3c(cn2)oc2ccccc23)c1)c1cc(-c2ccccc2)cc(-c2cc3c(cn2)oc2ccccc23)c1
InChIInChI=1S/C53H36N4O2/c1-33-21-22-54-34(2)53(33)57(41-25-37(35-13-5-3-6-14-35)23-39(27-41)47-29-45-43-17-9-11-19-49(43)58-51(45)31-55-47)42-26-38(36-15-7-4-8-16-36)24-40(28-42)48-30-46-44-18-10-12-20-50(44)59-52(46)32-56-48/h3-32H,1-2H3
InChIKeyUICCLOUHQBPXNR-UHFFFAOYSA-N
XLogP14.43
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.90
LogP ≤ 514.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)-5-phenylphenyl]-2,4-dimethylpyridin-3-amine with MolForge

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Related Compounds

N,N-bis[3-(3,5-dimethylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2,4-dimethylpyridin-3-amine
CID 140908717
3-(3,5-dimethylphenyl)-[1]benzofuro[2,3-c]pyridine
CID 140577687
N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-4-carbazol-9-yl-2,6-dimethylaniline
CID 135178307
3-([1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-(2-methylpropyl)aniline
CID 140881709
2,4-dimethyl-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-N-[3-(4-trimethylsilyl-2-pyridinyl)phenyl]pyridin-3-amine
CID 140908764
N-phenyl-3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)phenyl]aniline
CID 140881800
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridin-3-amine
CID 168738145
N-(4-dibenzofuran-2-ylphenyl)-3,5-diphenyl-N-(4-phenylphenyl)aniline
CID 118405810
N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-9-methylcarbazol-4-amine
CID 140881767
3-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine
CID 168745917
3,5-di(dibenzofuran-2-yl)-N,N-diphenylaniline
CID 121449955
4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)pyrimidine
CID 155079111

Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)-5-phenylphenyl]-2,4-dimethylpyridin-3-amine?
The IUPAC name of N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)-5-phenylphenyl]-2,4-dimethylpyridin-3-amine (CID 140881794) is N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)-5-phenylphenyl]-2,4-dimethylpyridin-3-amine.
What is the SMILES notation for N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)-5-phenylphenyl]-2,4-dimethylpyridin-3-amine?
The canonical SMILES for N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)-5-phenylphenyl]-2,4-dimethylpyridin-3-amine is Cc1ccnc(C)c1N(c1cc(-c2ccccc2)cc(-c2cc3c(cn2)oc2ccccc23)c1)c1cc(-c2ccccc2)cc(-c2cc3c(cn2)oc2ccccc23)c1.
What is the InChIKey of N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)-5-phenylphenyl]-2,4-dimethylpyridin-3-amine?
The InChIKey is UICCLOUHQBPXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N4O2/c1-33-21-22-54-34(2)53(33)57(41-25-37(35-13-5-3-6-14-35)23-39(27-41)47-29-45-43-17-9-11-19-49(43)58-51(45)31-55-47)42-26-38(36-15-7-4-8-16-36)24-40(28-42)48-30-46-44-18-10-12-20-50(44)59-52(46)32-56-48/h3-32H,1-2H3.
What are the key properties of N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)-5-phenylphenyl]-2,4-dimethylpyridin-3-amine?
N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)-5-phenylphenyl]-2,4-dimethylpyridin-3-amine has a molecular weight of 760.90 g/mol, XLogP of 14.43, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)-5-phenylphenyl]-2,4-dimethylpyridin-3-amine is sourced from PubChem (CID 140881794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).