4-N-(4-dibenzofuran-4-ylphenyl)-10-N,10-N-diphenyl-4-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine

C58H38N2O2 — CID 168855688

IUPAC4-N-(4-dibenzofuran-4-ylphenyl)-10-N,10-N-diphenyl-4-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)-c3cccc5ccc(N(c6ccccc6)c6ccccc6)c(c35)O4)cc2)cc1
InChIInChI=1S/C58H38N2O2/c1-4-14-39(15-5-1)40-26-31-45(32-27-40)59(46-33-28-41(29-34-46)48-22-13-24-51-49-21-10-11-25-54(49)61-57(48)51)47-35-37-55-52(38-47)50-23-12-16-42-30-36-53(58(62-55)56(42)50)60(43-17-6-2-7-18-43)44-19-8-3-9-20-44/h1-38H
InChIKeyFHZOUHRYTRNIHW-UHFFFAOYSA-N
MW794.95 g/mol
LogP16.79
Rot. Bonds8

About 4-N-(4-dibenzofuran-4-ylphenyl)-10-N,10-N-diphenyl-4-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine

4-N-(4-dibenzofuran-4-ylphenyl)-10-N,10-N-diphenyl-4-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine (PubChem CID 168855688) has the molecular formula C58H38N2O2 and a molecular weight of 794.95 g/mol. Its IUPAC name is 4-N-(4-dibenzofuran-4-ylphenyl)-10-N,10-N-diphenyl-4-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine.

Molecular Properties

Compound Name4-N-(4-dibenzofuran-4-ylphenyl)-10-N,10-N-diphenyl-4-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine
PubChem CID168855688
Molecular FormulaC58H38N2O2
Molecular Weight794.95 g/mol
Exact Mass794.29
IUPAC Name4-N-(4-dibenzofuran-4-ylphenyl)-10-N,10-N-diphenyl-4-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)-c3cccc5ccc(N(c6ccccc6)c6ccccc6)c(c35)O4)cc2)cc1
InChIInChI=1S/C58H38N2O2/c1-4-14-39(15-5-1)40-26-31-45(32-27-40)59(46-33-28-41(29-34-46)48-22-13-24-51-49-21-10-11-25-54(49)61-57(48)51)47-35-37-55-52(38-47)50-23-12-16-42-30-36-53(58(62-55)56(42)50)60(43-17-6-2-7-18-43)44-19-8-3-9-20-44/h1-38H
InChIKeyFHZOUHRYTRNIHW-UHFFFAOYSA-N
XLogP16.79
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.95
LogP ≤ 516.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-N-(4-dibenzofuran-4-ylphenyl)-10-N,10-N-diphenyl-4-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine with MolForge

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Related Compounds

4-N,10-N-bis(4-dibenzofuran-4-ylphenyl)-4-N,10-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine
CID 166900814
10-N,10-N-bis(4-dibenzofuran-4-ylphenyl)-5-N,5-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-5,10-diamine
CID 168855840
4-N,4-N,10-N-triphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine
CID 168855786
4-N,12-N-bis(4-dibenzofuran-4-ylphenyl)-4-N,12-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,12-diamine
CID 168855820
4-N,4-N,10-N,10-N-tetrakis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine
CID 168855597
10-N-dibenzofuran-4-yl-5-N,5-N-diphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-5,10-diamine
CID 168856007
11-N-(4-dibenzofuran-4-ylphenyl)-4-N,4-N-diphenyl-11-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,11-diamine
CID 166900401
N,N-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-amine
CID 166900799
12-N,12-N-bis(4-dibenzofuran-4-ylphenyl)-6-N,6-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,12-diamine
CID 168855974
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 157079303
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 118405762
10-N-dibenzofuran-4-yl-10-N-(9,9-diphenylfluoren-2-yl)-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine
CID 168856004

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-dibenzofuran-4-ylphenyl)-10-N,10-N-diphenyl-4-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine?
The IUPAC name of 4-N-(4-dibenzofuran-4-ylphenyl)-10-N,10-N-diphenyl-4-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine (CID 168855688) is 4-N-(4-dibenzofuran-4-ylphenyl)-10-N,10-N-diphenyl-4-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine.
What is the SMILES notation for 4-N-(4-dibenzofuran-4-ylphenyl)-10-N,10-N-diphenyl-4-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine?
The canonical SMILES for 4-N-(4-dibenzofuran-4-ylphenyl)-10-N,10-N-diphenyl-4-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)-c3cccc5ccc(N(c6ccccc6)c6ccccc6)c(c35)O4)cc2)cc1.
What is the InChIKey of 4-N-(4-dibenzofuran-4-ylphenyl)-10-N,10-N-diphenyl-4-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine?
The InChIKey is FHZOUHRYTRNIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O2/c1-4-14-39(15-5-1)40-26-31-45(32-27-40)59(46-33-28-41(29-34-46)48-22-13-24-51-49-21-10-11-25-54(49)61-57(48)51)47-35-37-55-52(38-47)50-23-12-16-42-30-36-53(58(62-55)56(42)50)60(43-17-6-2-7-18-43)44-19-8-3-9-20-44/h1-38H.
What are the key properties of 4-N-(4-dibenzofuran-4-ylphenyl)-10-N,10-N-diphenyl-4-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine?
4-N-(4-dibenzofuran-4-ylphenyl)-10-N,10-N-diphenyl-4-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine has a molecular weight of 794.95 g/mol, XLogP of 16.79, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-dibenzofuran-4-ylphenyl)-10-N,10-N-diphenyl-4-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine is sourced from PubChem (CID 168855688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).