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

C46H30N2O2 — CID 122473491

IUPAC5-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
SMILESc1ccc(N(c2ccccc2)c2ccc3c4c(cccc24)Oc2cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)ccc2-3)cc1
InChIInChI=1S/C46H30N2O2/c1-4-14-31(15-5-1)47(32-16-6-2-7-17-32)40-29-28-37-36-27-26-34(30-44(36)49-43-25-13-22-39(40)45(37)43)48(33-18-8-3-9-19-33)41-23-12-21-38-35-20-10-11-24-42(35)50-46(38)41/h1-30H
InChIKeyTYCYFADICFXDCA-UHFFFAOYSA-N
MW642.76 g/mol
LogP13.45
Rot. Bonds6

About 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

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 (PubChem CID 122473491) has the molecular formula C46H30N2O2 and a molecular weight of 642.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID122473491
Molecular FormulaC46H30N2O2
Molecular Weight642.76 g/mol
Exact Mass642.23
IUPAC Name5-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
SMILESc1ccc(N(c2ccccc2)c2ccc3c4c(cccc24)Oc2cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)ccc2-3)cc1
InChIInChI=1S/C46H30N2O2/c1-4-14-31(15-5-1)47(32-16-6-2-7-17-32)40-29-28-37-36-27-26-34(30-44(36)49-43-25-13-22-39(40)45(37)43)48(33-18-8-3-9-19-33)41-23-12-21-38-35-20-10-11-24-42(35)50-46(38)41/h1-30H
InChIKeyTYCYFADICFXDCA-UHFFFAOYSA-N
XLogP13.45
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.76
LogP ≤ 513.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
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
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
16-N-dibenzofuran-2-yl-5-N-dibenzofuran-4-yl-5-N-phenyl-16-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-decaene-5,16-diamine
CID 121295885
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
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
12-N-dibenzofuran-4-yl-6-N,6-N-diphenyl-12-N-(4-phenylphenyl)-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 168855706
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
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
6-N-dibenzofuran-2-yl-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine
CID 167208512
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccccc2)c2ccc3c4c(cccc24)Oc2cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)ccc2-3)cc1.
What is the InChIKey of 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?
The InChIKey is TYCYFADICFXDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2O2/c1-4-14-31(15-5-1)47(32-16-6-2-7-17-32)40-29-28-37-36-27-26-34(30-44(36)49-43-25-13-22-39(40)45(37)43)48(33-18-8-3-9-19-33)41-23-12-21-38-35-20-10-11-24-42(35)50-46(38)41/h1-30H.
What are the key properties of 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?
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 has a molecular weight of 642.76 g/mol, XLogP of 13.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 122473491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).