N-phenyl-N-[3-[1-(N-pyridin-2-ylanilino)dibenzofuran-3-yl]oxydibenzofuran-1-yl]pyridin-2-amine

C46H30N4O3 — CID 153431692

IUPACN-phenyl-N-[3-[1-(N-pyridin-2-ylanilino)dibenzofuran-3-yl]oxydibenzofuran-1-yl]pyridin-2-amine
SMILESc1ccc(N(c2ccccn2)c2cc(Oc3cc(N(c4ccccc4)c4ccccn4)c4c(c3)oc3ccccc34)cc3oc4ccccc4c23)cc1
InChIInChI=1S/C46H30N4O3/c1-3-15-31(16-4-1)49(43-23-11-13-25-47-43)37-27-33(29-41-45(37)35-19-7-9-21-39(35)52-41)51-34-28-38(46-36-20-8-10-22-40(36)53-42(46)30-34)50(32-17-5-2-6-18-32)44-24-12-14-26-48-44/h1-30H
InChIKeyFWRNNIDYJBUQAA-UHFFFAOYSA-N
MW686.77 g/mol
LogP13.01
Rot. Bonds8

About N-phenyl-N-[3-[1-(N-pyridin-2-ylanilino)dibenzofuran-3-yl]oxydibenzofuran-1-yl]pyridin-2-amine

N-phenyl-N-[3-[1-(N-pyridin-2-ylanilino)dibenzofuran-3-yl]oxydibenzofuran-1-yl]pyridin-2-amine (PubChem CID 153431692) has the molecular formula C46H30N4O3 and a molecular weight of 686.77 g/mol. Its IUPAC name is N-phenyl-N-[3-[1-(N-pyridin-2-ylanilino)dibenzofuran-3-yl]oxydibenzofuran-1-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[3-[1-(N-pyridin-2-ylanilino)dibenzofuran-3-yl]oxydibenzofuran-1-yl]pyridin-2-amine
PubChem CID153431692
Molecular FormulaC46H30N4O3
Molecular Weight686.77 g/mol
Exact Mass686.23
IUPAC NameN-phenyl-N-[3-[1-(N-pyridin-2-ylanilino)dibenzofuran-3-yl]oxydibenzofuran-1-yl]pyridin-2-amine
SMILESc1ccc(N(c2ccccn2)c2cc(Oc3cc(N(c4ccccc4)c4ccccn4)c4c(c3)oc3ccccc34)cc3oc4ccccc4c23)cc1
InChIInChI=1S/C46H30N4O3/c1-3-15-31(16-4-1)49(43-23-11-13-25-47-43)37-27-33(29-41-45(37)35-19-7-9-21-39(35)52-41)51-34-28-38(46-36-20-8-10-22-40(36)53-42(46)30-34)50(32-17-5-2-6-18-32)44-24-12-14-26-48-44/h1-30H
InChIKeyFWRNNIDYJBUQAA-UHFFFAOYSA-N
XLogP13.01
TPSA67.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.77
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[2-(1-methylpyrazol-3-yl)dibenzofuran-4-yl]oxydibenzofuran-1-yl]-N-phenylpyridin-2-amine
CID 153431680
3-[1-(N-phenylanilino)dibenzofuran-3-yl]oxyphenol
CID 164760081
N-[1-[1-(1-methylpyrazol-3-yl)dibenzofuran-3-yl]oxydibenzofuran-3-yl]-N-phenylpyridin-2-amine
CID 153431988
N-[2-[4-(1-methylpyrazol-3-yl)dibenzofuran-2-yl]oxydibenzofuran-4-yl]-N-phenylpyridin-2-amine
CID 153431706
N-phenyl-N-[2-(9-pyridin-2-ylcarbazol-2-yl)oxydibenzofuran-4-yl]pyridin-2-amine
CID 153432020
N-[3-[[3-(3-methyl-2H-imidazol-2-id-1-yl)-2H-dibenzofuran-2-id-1-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;platinum
CID 153431938
N-[3-[3-(1-methylpyrazol-3-yl)benzene-2-id-1-yl]oxy-2H-dibenzofuran-2-id-1-yl]-N-phenylpyridin-2-amine;platinum(2+)
CID 153431925
N-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxy-2H-dibenzofuran-2-id-1-yl]-N-phenylpyridin-2-amine;platinum(2+)
CID 153431963
N-[3-[[1-(3-methyl-2H-imidazol-2-id-1-yl)-2H-dibenzofuran-2-id-3-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;platinum
CID 153431727
3-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(1-pyridin-2-yloxydibenzofuran-3-yl)dibenzofuran-1-amine
CID 153431847
11-N,11-N,23-N,23-N-tetraphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(24),2(10),4,6,8,11,13,16,18,20,22-undecaene-11,23-diamine
CID 70938435
6-N,6-N-diphenyl-1-N,1-N-dipyridin-2-ylpyrene-1,6-diamine
CID 90756676

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[3-[1-(N-pyridin-2-ylanilino)dibenzofuran-3-yl]oxydibenzofuran-1-yl]pyridin-2-amine?
The IUPAC name of N-phenyl-N-[3-[1-(N-pyridin-2-ylanilino)dibenzofuran-3-yl]oxydibenzofuran-1-yl]pyridin-2-amine (CID 153431692) is N-phenyl-N-[3-[1-(N-pyridin-2-ylanilino)dibenzofuran-3-yl]oxydibenzofuran-1-yl]pyridin-2-amine.
What is the SMILES notation for N-phenyl-N-[3-[1-(N-pyridin-2-ylanilino)dibenzofuran-3-yl]oxydibenzofuran-1-yl]pyridin-2-amine?
The canonical SMILES for N-phenyl-N-[3-[1-(N-pyridin-2-ylanilino)dibenzofuran-3-yl]oxydibenzofuran-1-yl]pyridin-2-amine is c1ccc(N(c2ccccn2)c2cc(Oc3cc(N(c4ccccc4)c4ccccn4)c4c(c3)oc3ccccc34)cc3oc4ccccc4c23)cc1.
What is the InChIKey of N-phenyl-N-[3-[1-(N-pyridin-2-ylanilino)dibenzofuran-3-yl]oxydibenzofuran-1-yl]pyridin-2-amine?
The InChIKey is FWRNNIDYJBUQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4O3/c1-3-15-31(16-4-1)49(43-23-11-13-25-47-43)37-27-33(29-41-45(37)35-19-7-9-21-39(35)52-41)51-34-28-38(46-36-20-8-10-22-40(36)53-42(46)30-34)50(32-17-5-2-6-18-32)44-24-12-14-26-48-44/h1-30H.
What are the key properties of N-phenyl-N-[3-[1-(N-pyridin-2-ylanilino)dibenzofuran-3-yl]oxydibenzofuran-1-yl]pyridin-2-amine?
N-phenyl-N-[3-[1-(N-pyridin-2-ylanilino)dibenzofuran-3-yl]oxydibenzofuran-1-yl]pyridin-2-amine has a molecular weight of 686.77 g/mol, XLogP of 13.01, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[3-[1-(N-pyridin-2-ylanilino)dibenzofuran-3-yl]oxydibenzofuran-1-yl]pyridin-2-amine is sourced from PubChem (CID 153431692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).