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

C64H40N2O3 — CID 168855840

IUPAC10-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
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)Oc2c(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)ccc4cccc-3c24)cc1
InChIInChI=1S/C64H40N2O3/c1-3-15-44(16-4-1)65(45-17-5-2-6-18-45)48-37-38-53-54-23-11-14-43-32-39-57(64(61(43)54)69-60(53)40-48)66(46-33-28-41(29-34-46)49-21-12-24-55-51-19-7-9-26-58(51)67-62(49)55)47-35-30-42(31-36-47)50-22-13-25-56-52-20-8-10-27-59(52)68-63(50)56/h1-40H
InChIKeyCHDMVBSPCLWMMX-UHFFFAOYSA-N
MW885.04 g/mol
LogP18.68
Rot. Bonds8

About 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

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 (PubChem CID 168855840) has the molecular formula C64H40N2O3 and a molecular weight of 885.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-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
PubChem CID168855840
Molecular FormulaC64H40N2O3
Molecular Weight885.04 g/mol
Exact Mass884.30
IUPAC Name10-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
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)Oc2c(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)ccc4cccc-3c24)cc1
InChIInChI=1S/C64H40N2O3/c1-3-15-44(16-4-1)65(45-17-5-2-6-18-45)48-37-38-53-54-23-11-14-43-32-39-57(64(61(43)54)69-60(53)40-48)66(46-33-28-41(29-34-46)49-21-12-24-55-51-19-7-9-26-58(51)67-62(49)55)47-35-30-42(31-36-47)50-22-13-25-56-52-20-8-10-27-59(52)68-63(50)56/h1-40H
InChIKeyCHDMVBSPCLWMMX-UHFFFAOYSA-N
XLogP18.68
TPSA41.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.04
LogP ≤ 518.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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
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
5-N,5-N-diphenyl-10-N,10-N-bis[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 168855923
5-N,5-N,10-N,10-N-tetraphenyl-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 168855554
10-N-dibenzofuran-4-yl-10-N-(9,9-diphenylfluoren-2-yl)-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 168855700
5-N-[(3Z)-5-(1-benzoxonin-3-yl)hexa-1,3,5-trien-2-yl]-10-N-(4-dibenzofuran-4-ylphenyl)-5-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-5,10-diamine
CID 168855607
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
10-N-(4-dibenzothiophen-4-ylphenyl)-5-N,5-N-diphenyl-10-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-5,10-diamine
CID 168855499
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59022075
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
CID 59022085
5-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118604838

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccccc2)c2ccc3c(c2)Oc2c(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)ccc4cccc-3c24)cc1.
What is the InChIKey of 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?
The InChIKey is CHDMVBSPCLWMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N2O3/c1-3-15-44(16-4-1)65(45-17-5-2-6-18-45)48-37-38-53-54-23-11-14-43-32-39-57(64(61(43)54)69-60(53)40-48)66(46-33-28-41(29-34-46)49-21-12-24-55-51-19-7-9-26-58(51)67-62(49)55)47-35-30-42(31-36-47)50-22-13-25-56-52-20-8-10-27-59(52)68-63(50)56/h1-40H.
What are the key properties of 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?
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 has a molecular weight of 885.04 g/mol, XLogP of 18.68, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168855840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).