6,24-di(dibenzofuran-2-yl)-10,20-di(dibenzofuran-4-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene

C72H38N2O5 — CID 118391237

IUPAC6,24-di(dibenzofuran-2-yl)-10,20-di(dibenzofuran-4-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene
SMILESc1ccc2c(c1)oc1ccc(-n3c4ccc(-c5cccc6c5oc5ccccc56)cc4c4c5oc6c(ccc7c6c6cc(-c8cccc9c8oc8ccccc89)ccc6n7-c6ccc7oc8ccccc8c7c6)c5ccc43)cc12
InChIInChI=1S/C72H38N2O5/c1-7-21-63-45(11-1)49-17-9-15-43(69(49)77-63)39-23-29-57-55(35-39)67-59(73(57)41-25-33-65-53(37-41)47-13-3-5-19-61(47)75-65)31-27-51-52-28-32-60-68(72(52)79-71(51)67)56-36-40(44-16-10-18-50-46-12-2-8-22-64(46)78-70(44)50)24-30-58(56)74(60)42-26-34-66-54(38-42)48-14-4-6-20-62(48)76-66/h1-38H
InChIKeyULMAIHSEOZQXOX-UHFFFAOYSA-N
MW1011.10 g/mol
LogP20.71
Rot. Bonds4

About 6,24-di(dibenzofuran-2-yl)-10,20-di(dibenzofuran-4-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene

6,24-di(dibenzofuran-2-yl)-10,20-di(dibenzofuran-4-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene (PubChem CID 118391237) has the molecular formula C72H38N2O5 and a molecular weight of 1011.10 g/mol. Its IUPAC name is 6,24-di(dibenzofuran-2-yl)-10,20-di(dibenzofuran-4-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene.

Molecular Properties

Compound Name6,24-di(dibenzofuran-2-yl)-10,20-di(dibenzofuran-4-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene
PubChem CID118391237
Molecular FormulaC72H38N2O5
Molecular Weight1011.10 g/mol
Exact Mass1010.28
IUPAC Name6,24-di(dibenzofuran-2-yl)-10,20-di(dibenzofuran-4-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene
SMILESc1ccc2c(c1)oc1ccc(-n3c4ccc(-c5cccc6c5oc5ccccc56)cc4c4c5oc6c(ccc7c6c6cc(-c8cccc9c8oc8ccccc89)ccc6n7-c6ccc7oc8ccccc8c7c6)c5ccc43)cc12
InChIInChI=1S/C72H38N2O5/c1-7-21-63-45(11-1)49-17-9-15-43(69(49)77-63)39-23-29-57-55(35-39)67-59(73(57)41-25-33-65-53(37-41)47-13-3-5-19-61(47)75-65)31-27-51-52-28-32-60-68(72(52)79-71(51)67)56-36-40(44-16-10-18-50-46-12-2-8-22-64(46)78-70(44)50)24-30-58(56)74(60)42-26-34-66-54(38-42)48-14-4-6-20-62(48)76-66/h1-38H
InChIKeyULMAIHSEOZQXOX-UHFFFAOYSA-N
XLogP20.71
TPSA75.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001011.10
LogP ≤ 520.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6,24-di(dibenzofuran-2-yl)-10,20-di(dibenzofuran-4-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene with MolForge

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Related Compounds

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5-(7-dibenzofuran-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 170276888
9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
CID 58099745
5-(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 90225205
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 121449395
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
5,20-bis(9-phenylcarbazol-3-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(carbazol-9-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene;5,20-di(dibenzofuran-4-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene
CID 158851298
5-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 171612138
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
9-[6-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)dibenzofuran-2-yl]carbazole;9-[8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)dibenzofuran-2-yl]carbazole;9-[6-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 161406390
9-(6-dibenzofuran-4-yldibenzofuran-2-yl)-3-phenylcarbazole
CID 146532981

Frequently Asked Questions

What is the IUPAC name of 6,24-di(dibenzofuran-2-yl)-10,20-di(dibenzofuran-4-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene?
The IUPAC name of 6,24-di(dibenzofuran-2-yl)-10,20-di(dibenzofuran-4-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene (CID 118391237) is 6,24-di(dibenzofuran-2-yl)-10,20-di(dibenzofuran-4-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene.
What is the SMILES notation for 6,24-di(dibenzofuran-2-yl)-10,20-di(dibenzofuran-4-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene?
The canonical SMILES for 6,24-di(dibenzofuran-2-yl)-10,20-di(dibenzofuran-4-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene is c1ccc2c(c1)oc1ccc(-n3c4ccc(-c5cccc6c5oc5ccccc56)cc4c4c5oc6c(ccc7c6c6cc(-c8cccc9c8oc8ccccc89)ccc6n7-c6ccc7oc8ccccc8c7c6)c5ccc43)cc12.
What is the InChIKey of 6,24-di(dibenzofuran-2-yl)-10,20-di(dibenzofuran-4-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene?
The InChIKey is ULMAIHSEOZQXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H38N2O5/c1-7-21-63-45(11-1)49-17-9-15-43(69(49)77-63)39-23-29-57-55(35-39)67-59(73(57)41-25-33-65-53(37-41)47-13-3-5-19-61(47)75-65)31-27-51-52-28-32-60-68(72(52)79-71(51)67)56-36-40(44-16-10-18-50-46-12-2-8-22-64(46)78-70(44)50)24-30-58(56)74(60)42-26-34-66-54(38-42)48-14-4-6-20-62(48)76-66/h1-38H.
What are the key properties of 6,24-di(dibenzofuran-2-yl)-10,20-di(dibenzofuran-4-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene?
6,24-di(dibenzofuran-2-yl)-10,20-di(dibenzofuran-4-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene has a molecular weight of 1011.10 g/mol, XLogP of 20.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,24-di(dibenzofuran-2-yl)-10,20-di(dibenzofuran-4-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene is sourced from PubChem (CID 118391237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).