12-N-dibenzofuran-2-yl-18-N-dibenzofuran-3-yl-12-N,18-N-diphenyl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-12,18-diamine

C58H34N2O4 — CID 148769507

IUPAC12-N-dibenzofuran-2-yl-18-N-dibenzofuran-3-yl-12-N,18-N-diphenyl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-12,18-diamine
SMILESc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cccc3cc4c(cc23)oc2c(N(c3ccccc3)c3ccc5oc6ccccc6c5c3)cc3oc5ccccc5c3c24)cc1
InChIInChI=1S/C58H34N2O4/c1-3-15-36(16-4-1)59(39-26-28-42-40-19-7-10-23-49(40)62-53(42)32-39)47-22-13-14-35-30-46-54(33-44(35)47)64-58-48(34-55-56(57(46)58)43-21-9-12-25-51(43)63-55)60(37-17-5-2-6-18-37)38-27-29-52-45(31-38)41-20-8-11-24-50(41)61-52/h1-34H
InChIKeyOICYEPBMYJWUNV-UHFFFAOYSA-N
MW822.92 g/mol
LogP17.38
Rot. Bonds6

About 12-N-dibenzofuran-2-yl-18-N-dibenzofuran-3-yl-12-N,18-N-diphenyl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-12,18-diamine

12-N-dibenzofuran-2-yl-18-N-dibenzofuran-3-yl-12-N,18-N-diphenyl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-12,18-diamine (PubChem CID 148769507) has the molecular formula C58H34N2O4 and a molecular weight of 822.92 g/mol. Its IUPAC name is 12-N-dibenzofuran-2-yl-18-N-dibenzofuran-3-yl-12-N,18-N-diphenyl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-12,18-diamine.

Molecular Properties

Compound Name12-N-dibenzofuran-2-yl-18-N-dibenzofuran-3-yl-12-N,18-N-diphenyl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-12,18-diamine
PubChem CID148769507
Molecular FormulaC58H34N2O4
Molecular Weight822.92 g/mol
Exact Mass822.25
IUPAC Name12-N-dibenzofuran-2-yl-18-N-dibenzofuran-3-yl-12-N,18-N-diphenyl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-12,18-diamine
SMILESc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cccc3cc4c(cc23)oc2c(N(c3ccccc3)c3ccc5oc6ccccc6c5c3)cc3oc5ccccc5c3c24)cc1
InChIInChI=1S/C58H34N2O4/c1-3-15-36(16-4-1)59(39-26-28-42-40-19-7-10-23-49(40)62-53(42)32-39)47-22-13-14-35-30-46-54(33-44(35)47)64-58-48(34-55-56(57(46)58)43-21-9-12-25-51(43)63-55)60(37-17-5-2-6-18-37)38-27-29-52-45(31-38)41-20-8-11-24-50(41)61-52/h1-34H
InChIKeyOICYEPBMYJWUNV-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 12-N-dibenzofuran-2-yl-18-N-dibenzofuran-3-yl-12-N,18-N-diphenyl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-12,18-diamine with MolForge

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Related Compounds

6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenyl-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-nonaene-6,12-diamine
CID 138651057
N-dibenzofuran-4-yl-N-phenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaen-7-amine
CID 162475643
8-N,22-N-di(dibenzofuran-3-yl)-8-N,22-N-dinaphthalen-1-yl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 165046375
1-N,5-N-di(dibenzofuran-2-yl)-1-N,5-N-diphenylchrysene-1,5-diamine
CID 170410722
N-naphthalen-1-yl-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 170272670
N-[4-[4-[dibenzofuran-2-yl(phenanthren-9-yl)amino]phenyl]phenyl]-N-phenanthren-9-yldibenzofuran-2-amine;1-N,3-N-di(dibenzofuran-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,4-N-di(dibenzofuran-3-yl)-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-di(dibenzofuran-4-yl)-1-N,4-N-diphenylbenzene-1,4-diamine;N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 157328042
7-N-(1-chlorodibenzofuran-3-yl)-2-N-dibenzofuran-4-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine
CID 146551038
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 174285036
N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
CID 167123339
6-N-dibenzofuran-2-yl-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine
CID 167208512
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
1-N-dibenzofuran-3-yl-1-N,7-N,7-N-triphenyldibenzofuran-1,7-diamine
CID 146573998

Frequently Asked Questions

What is the IUPAC name of 12-N-dibenzofuran-2-yl-18-N-dibenzofuran-3-yl-12-N,18-N-diphenyl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-12,18-diamine?
The IUPAC name of 12-N-dibenzofuran-2-yl-18-N-dibenzofuran-3-yl-12-N,18-N-diphenyl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-12,18-diamine (CID 148769507) is 12-N-dibenzofuran-2-yl-18-N-dibenzofuran-3-yl-12-N,18-N-diphenyl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-12,18-diamine.
What is the SMILES notation for 12-N-dibenzofuran-2-yl-18-N-dibenzofuran-3-yl-12-N,18-N-diphenyl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-12,18-diamine?
The canonical SMILES for 12-N-dibenzofuran-2-yl-18-N-dibenzofuran-3-yl-12-N,18-N-diphenyl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-12,18-diamine is c1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cccc3cc4c(cc23)oc2c(N(c3ccccc3)c3ccc5oc6ccccc6c5c3)cc3oc5ccccc5c3c24)cc1.
What is the InChIKey of 12-N-dibenzofuran-2-yl-18-N-dibenzofuran-3-yl-12-N,18-N-diphenyl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-12,18-diamine?
The InChIKey is OICYEPBMYJWUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N2O4/c1-3-15-36(16-4-1)59(39-26-28-42-40-19-7-10-23-49(40)62-53(42)32-39)47-22-13-14-35-30-46-54(33-44(35)47)64-58-48(34-55-56(57(46)58)43-21-9-12-25-51(43)63-55)60(37-17-5-2-6-18-37)38-27-29-52-45(31-38)41-20-8-11-24-50(41)61-52/h1-34H.
What are the key properties of 12-N-dibenzofuran-2-yl-18-N-dibenzofuran-3-yl-12-N,18-N-diphenyl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-12,18-diamine?
12-N-dibenzofuran-2-yl-18-N-dibenzofuran-3-yl-12-N,18-N-diphenyl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-12,18-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 12-N-dibenzofuran-2-yl-18-N-dibenzofuran-3-yl-12-N,18-N-diphenyl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-12,18-diamine is sourced from PubChem (CID 148769507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).