6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine

C58H34N2O4 — CID 162475564

IUPAC6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine
SMILESc1ccc(N(c2ccc3c(c2)oc2c3ccc3c2ccc2c4ccc(N(c5ccccc5)c5cccc6c5oc5ccccc56)cc4oc23)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C58H34N2O4/c1-3-13-35(14-4-1)59(49-21-11-19-43-39-17-7-9-23-51(39)61-57(43)49)37-25-27-41-45-29-31-48-47(55(45)63-53(41)33-37)32-30-46-42-28-26-38(34-54(42)64-56(46)48)60(36-15-5-2-6-16-36)50-22-12-20-44-40-18-8-10-24-52(40)62-58(44)50/h1-34H
InChIKeyQUDSEFYABZTWIW-UHFFFAOYSA-N
MW822.92 g/mol
LogP17.38
Rot. Bonds6

About 6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine

6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine (PubChem CID 162475564) has the molecular formula C58H34N2O4 and a molecular weight of 822.92 g/mol. Its IUPAC name is 6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine.

Molecular Properties

Compound Name6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine
PubChem CID162475564
Molecular FormulaC58H34N2O4
Molecular Weight822.92 g/mol
Exact Mass822.25
IUPAC Name6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine
SMILESc1ccc(N(c2ccc3c(c2)oc2c3ccc3c2ccc2c4ccc(N(c5ccccc5)c5cccc6c5oc5ccccc56)cc4oc23)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C58H34N2O4/c1-3-13-35(14-4-1)59(49-21-11-19-43-39-17-7-9-23-51(39)61-57(43)49)37-25-27-41-45-29-31-48-47(55(45)63-53(41)33-37)32-30-46-42-28-26-38(34-54(42)64-56(46)48)60(36-15-5-2-6-16-36)50-22-12-20-44-40-18-8-10-24-52(40)62-58(44)50/h1-34H
InChIKeyQUDSEFYABZTWIW-UHFFFAOYSA-N
XLogP17.38
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.92
LogP ≤ 517.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine with MolForge

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Related Compounds

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CID 174244796
N,N-diphenyldibenzofuran-4-amine;ethane
CID 158587957
2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-diphenylpyrene-2,7-diamine
CID 123387446
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918
9-N,25-N-di(dibenzofuran-4-yl)-9-N,25-N-diphenyl-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,21(30),22,24,26,28,31-pentadecaene-9,25-diamine
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Frequently Asked Questions

What is the IUPAC name of 6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine?
The IUPAC name of 6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine (CID 162475564) is 6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine.
What is the SMILES notation for 6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine?
The canonical SMILES for 6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine is c1ccc(N(c2ccc3c(c2)oc2c3ccc3c2ccc2c4ccc(N(c5ccccc5)c5cccc6c5oc5ccccc56)cc4oc23)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine?
The InChIKey is QUDSEFYABZTWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N2O4/c1-3-13-35(14-4-1)59(49-21-11-19-43-39-17-7-9-23-51(39)61-57(43)49)37-25-27-41-45-29-31-48-47(55(45)63-53(41)33-37)32-30-46-42-28-26-38(34-54(42)64-56(46)48)60(36-15-5-2-6-16-36)50-22-12-20-44-40-18-8-10-24-52(40)62-58(44)50/h1-34H.
What are the key properties of 6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine?
6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine has a molecular weight of 822.92 g/mol, XLogP of 17.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine is sourced from PubChem (CID 162475564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).