5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-amine

C64H41FN2O2 — CID 122473536

IUPAC5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-amine
SMILESFc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc2c3c(cccc13)Oc1cc(-c3ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3)ccc1-2
InChIInChI=1S/C64H41FN2O2/c65-56-40-46(42-17-5-1-6-18-42)39-55(44-19-7-2-8-20-44)63(56)67(48-23-11-4-12-24-48)57-38-37-52-51-36-33-45(41-61(51)68-60-30-16-27-54(57)62(52)60)43-31-34-49(35-32-43)66(47-21-9-3-10-22-47)58-28-15-26-53-50-25-13-14-29-59(50)69-64(53)58/h1-41H
InChIKeyHXWMWOAHNNSVOA-UHFFFAOYSA-N
MW889.04 g/mol
LogP18.59
Rot. Bonds9

About 5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-amine

5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-amine (PubChem CID 122473536) has the molecular formula C64H41FN2O2 and a molecular weight of 889.04 g/mol. Its IUPAC name is 5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-amine.

Molecular Properties

Compound Name5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-amine
PubChem CID122473536
Molecular FormulaC64H41FN2O2
Molecular Weight889.04 g/mol
Exact Mass888.32
IUPAC Name5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-amine
SMILESFc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc2c3c(cccc13)Oc1cc(-c3ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3)ccc1-2
InChIInChI=1S/C64H41FN2O2/c65-56-40-46(42-17-5-1-6-18-42)39-55(44-19-7-2-8-20-44)63(56)67(48-23-11-4-12-24-48)57-38-37-52-51-36-33-45(41-61(51)68-60-30-16-27-54(57)62(52)60)43-31-34-49(35-32-43)66(47-21-9-3-10-22-47)58-28-15-26-53-50-25-13-14-29-59(50)69-64(53)58/h1-41H
InChIKeyHXWMWOAHNNSVOA-UHFFFAOYSA-N
XLogP18.59
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.04
LogP ≤ 518.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-amine with MolForge

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Related Compounds

5-N-dibenzofuran-4-yl-5-N,14-N,14-N-triphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine
CID 122473491
N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 122493236
5-N-dibenzofuran-4-yl-16-N-(2-fluoro-4,6-diphenylphenyl)-5-N,16-N-bis(2-phenylphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 121295898
17-N-dibenzofuran-4-yl-4-N-(2-fluoro-4,6-diphenylphenyl)-4-N,17-N-bis(2-phenylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine
CID 118148954
N-dibenzofuran-4-yl-17-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-phenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine
CID 118149018
14-bis(2,4,6-trimethylphenyl)boranyl-N-dibenzofuran-4-yl-N-(2-fluoro-4,6-diphenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine;14-bis(2,4,6-trimethylphenyl)boranyl-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine;14-bis(2,4,6-trimethylphenyl)boranyl-N-(2-fluoro-4,6-diphenylphenyl)-N-(2-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine
CID 162181814
4-N-dibenzofuran-2-yl-17-N-dibenzofuran-4-yl-4-N,17-N-bis(2-phenylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;17-N-dibenzofuran-4-yl-4-N-(2-fluoro-4,6-diphenylphenyl)-4-N,17-N-bis(2-phenylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine
CID 159435676
N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-N-phenyldibenzofuran-4-amine
CID 122493254
N-dibenzofuran-4-yl-5-[4-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]-N-phenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-amine
CID 121295952
5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-amine;5-[4-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]-N,N-diphenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-amine;N,N-diphenyl-5-[4-(N-(2-phenylphenyl)anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-amine
CID 159844829
N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 146582246
N-dibenzofuran-4-yl-16-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-phenylphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine
CID 121295928

Frequently Asked Questions

What is the IUPAC name of 5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-amine?
The IUPAC name of 5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-amine (CID 122473536) is 5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-amine.
What is the SMILES notation for 5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-amine?
The canonical SMILES for 5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-amine is Fc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc2c3c(cccc13)Oc1cc(-c3ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3)ccc1-2.
What is the InChIKey of 5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-amine?
The InChIKey is HXWMWOAHNNSVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41FN2O2/c65-56-40-46(42-17-5-1-6-18-42)39-55(44-19-7-2-8-20-44)63(56)67(48-23-11-4-12-24-48)57-38-37-52-51-36-33-45(41-61(51)68-60-30-16-27-54(57)62(52)60)43-31-34-49(35-32-43)66(47-21-9-3-10-22-47)58-28-15-26-53-50-25-13-14-29-59(50)69-64(53)58/h1-41H.
What are the key properties of 5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-amine?
5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-amine has a molecular weight of 889.04 g/mol, XLogP of 18.59, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-amine is sourced from PubChem (CID 122473536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).