8-N,22-N-di(dibenzofuran-1-yl)-8-N,22-N-diphenyl-11,15,19-trioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine

C60H34N2O5 — CID 170235172

IUPAC8-N,22-N-di(dibenzofuran-1-yl)-8-N,22-N-diphenyl-11,15,19-trioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine
SMILESc1ccc(N(c2ccc3c(c2)oc2cc4oc5cc6oc7cc(N(c8ccccc8)c8cccc9oc%10ccccc%10c89)ccc7c6cc5c4cc23)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C60H34N2O5/c1-3-13-35(14-4-1)61(47-19-11-23-51-59(47)41-17-7-9-21-49(41)63-51)37-25-27-39-43-31-45-46-32-44-40-28-26-38(30-54(40)66-56(44)34-58(46)67-57(45)33-55(43)65-53(39)29-37)62(36-15-5-2-6-16-36)48-20-12-24-52-60(48)42-18-8-10-22-50(42)64-52/h1-34H
InChIKeyOVIRZPHJEYOCEI-UHFFFAOYSA-N
MW862.94 g/mol
LogP18.12
Rot. Bonds6

About 8-N,22-N-di(dibenzofuran-1-yl)-8-N,22-N-diphenyl-11,15,19-trioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine

8-N,22-N-di(dibenzofuran-1-yl)-8-N,22-N-diphenyl-11,15,19-trioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine (PubChem CID 170235172) has the molecular formula C60H34N2O5 and a molecular weight of 862.94 g/mol. Its IUPAC name is 8-N,22-N-di(dibenzofuran-1-yl)-8-N,22-N-diphenyl-11,15,19-trioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine.

Molecular Properties

Compound Name8-N,22-N-di(dibenzofuran-1-yl)-8-N,22-N-diphenyl-11,15,19-trioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine
PubChem CID170235172
Molecular FormulaC60H34N2O5
Molecular Weight862.94 g/mol
Exact Mass862.25
IUPAC Name8-N,22-N-di(dibenzofuran-1-yl)-8-N,22-N-diphenyl-11,15,19-trioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine
SMILESc1ccc(N(c2ccc3c(c2)oc2cc4oc5cc6oc7cc(N(c8ccccc8)c8cccc9oc%10ccccc%10c89)ccc7c6cc5c4cc23)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C60H34N2O5/c1-3-13-35(14-4-1)61(47-19-11-23-51-59(47)41-17-7-9-21-49(41)63-51)37-25-27-39-43-31-45-46-32-44-40-28-26-38(30-54(40)66-56(44)34-58(46)67-57(45)33-55(43)65-53(39)29-37)62(36-15-5-2-6-16-36)48-20-12-24-52-60(48)42-18-8-10-22-50(42)64-52/h1-34H
InChIKeyOVIRZPHJEYOCEI-UHFFFAOYSA-N
XLogP18.12
TPSA72.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.94
LogP ≤ 518.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-N,22-N-di(dibenzofuran-1-yl)-8-N,22-N-diphenyl-11,15,19-trioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine with MolForge

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Related Compounds

1-N-dibenzofuran-3-yl-1-N,7-N,7-N-triphenyldibenzofuran-1,7-diamine
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CID 155361145
8-(8-dibenzofuran-3-yldibenzofuran-2-yl)-N,N-diphenyldibenzofuran-1-amine
CID 174244453
1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126632
N-dibenzofuran-1-yl-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine
CID 170778911
N-phenyl-N-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]dibenzofuran-1-amine;N-phenyl-N-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]dibenzofuran-2-amine;N-phenyl-N-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 159183519
1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine
CID 134198303
N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167086573
N,N-bis(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-amine
CID 171050107
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
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 174321862
1-N,10-N-di(dibenzofuran-3-yl)-1-N,10-N-diphenylchrysene-1,10-diamine
CID 170410635

Frequently Asked Questions

What is the IUPAC name of 8-N,22-N-di(dibenzofuran-1-yl)-8-N,22-N-diphenyl-11,15,19-trioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine?
The IUPAC name of 8-N,22-N-di(dibenzofuran-1-yl)-8-N,22-N-diphenyl-11,15,19-trioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine (CID 170235172) is 8-N,22-N-di(dibenzofuran-1-yl)-8-N,22-N-diphenyl-11,15,19-trioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine.
What is the SMILES notation for 8-N,22-N-di(dibenzofuran-1-yl)-8-N,22-N-diphenyl-11,15,19-trioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine?
The canonical SMILES for 8-N,22-N-di(dibenzofuran-1-yl)-8-N,22-N-diphenyl-11,15,19-trioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine is c1ccc(N(c2ccc3c(c2)oc2cc4oc5cc6oc7cc(N(c8ccccc8)c8cccc9oc%10ccccc%10c89)ccc7c6cc5c4cc23)c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of 8-N,22-N-di(dibenzofuran-1-yl)-8-N,22-N-diphenyl-11,15,19-trioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine?
The InChIKey is OVIRZPHJEYOCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H34N2O5/c1-3-13-35(14-4-1)61(47-19-11-23-51-59(47)41-17-7-9-21-49(41)63-51)37-25-27-39-43-31-45-46-32-44-40-28-26-38(30-54(40)66-56(44)34-58(46)67-57(45)33-55(43)65-53(39)29-37)62(36-15-5-2-6-16-36)48-20-12-24-52-60(48)42-18-8-10-22-50(42)64-52/h1-34H.
What are the key properties of 8-N,22-N-di(dibenzofuran-1-yl)-8-N,22-N-diphenyl-11,15,19-trioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine?
8-N,22-N-di(dibenzofuran-1-yl)-8-N,22-N-diphenyl-11,15,19-trioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine has a molecular weight of 862.94 g/mol, XLogP of 18.12, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,22-N-di(dibenzofuran-1-yl)-8-N,22-N-diphenyl-11,15,19-trioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine is sourced from PubChem (CID 170235172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).