4,11-di(dibenzofuran-4-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene

C62H40N2O2 — CID 134428155

IUPAC4,11-di(dibenzofuran-4-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene
SMILESc1ccc(N2CCN(c3ccccc3)c3cc4c(cc32)-c2ccccc2-c2cc(-c3cccc5c3oc3ccccc35)ccc2-c2ccc(-c3cccc5c3oc3ccccc35)cc2-4)cc1
InChIInChI=1S/C62H40N2O2/c1-3-15-41(16-4-1)63-33-34-64(42-17-5-2-6-18-42)58-38-56-54-36-40(44-24-14-26-52-50-22-10-12-28-60(50)66-62(44)52)30-32-48(54)47-31-29-39(35-53(47)45-19-7-8-20-46(45)55(56)37-57(58)63)43-23-13-25-51-49-21-9-11-27-59(49)65-61(43)51/h1-32,35-38H,33-34H2/b48-47-,53-45-,55-46-,56-54-
InChIKeyLXMMBXMJAAARHV-FAJIBZOWSA-N
MW845.01 g/mol
LogP17.09
Rot. Bonds4

About 4,11-di(dibenzofuran-4-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene

4,11-di(dibenzofuran-4-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene (PubChem CID 134428155) has the molecular formula C62H40N2O2 and a molecular weight of 845.01 g/mol. Its IUPAC name is 4,11-di(dibenzofuran-4-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene.

Molecular Properties

Compound Name4,11-di(dibenzofuran-4-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene
PubChem CID134428155
Molecular FormulaC62H40N2O2
Molecular Weight845.01 g/mol
Exact Mass844.31
IUPAC Name4,11-di(dibenzofuran-4-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene
SMILESc1ccc(N2CCN(c3ccccc3)c3cc4c(cc32)-c2ccccc2-c2cc(-c3cccc5c3oc3ccccc35)ccc2-c2ccc(-c3cccc5c3oc3ccccc35)cc2-4)cc1
InChIInChI=1S/C62H40N2O2/c1-3-15-41(16-4-1)63-33-34-64(42-17-5-2-6-18-42)58-38-56-54-36-40(44-24-14-26-52-50-22-10-12-28-60(50)66-62(44)52)30-32-48(54)47-31-29-39(35-53(47)45-19-7-8-20-46(45)55(56)37-57(58)63)43-23-13-25-51-49-21-9-11-27-59(49)65-61(43)51/h1-32,35-38H,33-34H2/b48-47-,53-45-,55-46-,56-54-
InChIKeyLXMMBXMJAAARHV-FAJIBZOWSA-N
XLogP17.09
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.01
LogP ≤ 517.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,11-di(dibenzofuran-4-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene with MolForge

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Related Compounds

5,10-di(dibenzothiophen-4-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene
CID 134428168
16-dibenzofuran-4-yl-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14(19),15,17,20,22-dodecaene
CID 140920425
9-(28-carbazol-9-yl-4-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2(7),3,5,8(25),9,11,13,15,17,19,21,23,26(31),27,29,33,35,37,39,41,43,45,47-tetracosaenyl)carbazole;9-(29-carbazol-9-yl-3-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2(7),3,5,8(25),9,11,13,15,17,19,21,23,26(31),27,29,33,35,37,39,41,43,45,47-tetracosaenyl)carbazole;9-(29-carbazol-9-yl-4-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2(7),3,5,8(25),9,11,13,15,17,19,21,23,26(31),27,29,33,35,37,39,41,43,45,47-tetracosaenyl)carbazole;9-[5,28,29-tri(carbazol-9-yl)-4-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2,4,6,8(25),9,11,13,15,17,19,21,23,26,28,30,33,35,37,39,41,43,45,47-tetracosaenyl]carbazole;4-(3-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2,4,6,8(25),9,11,13,15,17,19,21,23,26,28,30,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran;4-(4-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2(7),3,5,8(25),9,11,13,15,17,19,21,23,26,28,30,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran
CID 158745221
19,24-di(dibenzofuran-4-yl)-5,12,31,38-tetraphenyl-5,12,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene
CID 134428489
11-dibenzofuran-4-yl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 168727770
4-(2-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-10-yl)dibenzofuran
CID 121441519
4-[4-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran
CID 156552973
2,7-di(dibenzofuran-4-yl)-9-(4-phenylphenyl)carbazole
CID 139496633
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
4,18-di(dibenzofuran-4-yl)-8-(2,6-diphenylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 171736962
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
3-bromo-6-dibenzofuran-4-yl-9-phenylcarbazole
CID 90089515

Frequently Asked Questions

What is the IUPAC name of 4,11-di(dibenzofuran-4-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene?
The IUPAC name of 4,11-di(dibenzofuran-4-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene (CID 134428155) is 4,11-di(dibenzofuran-4-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene.
What is the SMILES notation for 4,11-di(dibenzofuran-4-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene?
The canonical SMILES for 4,11-di(dibenzofuran-4-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene is c1ccc(N2CCN(c3ccccc3)c3cc4c(cc32)-c2ccccc2-c2cc(-c3cccc5c3oc3ccccc35)ccc2-c2ccc(-c3cccc5c3oc3ccccc35)cc2-4)cc1.
What is the InChIKey of 4,11-di(dibenzofuran-4-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene?
The InChIKey is LXMMBXMJAAARHV-FAJIBZOWSA-N. The full InChI is InChI=1S/C62H40N2O2/c1-3-15-41(16-4-1)63-33-34-64(42-17-5-2-6-18-42)58-38-56-54-36-40(44-24-14-26-52-50-22-10-12-28-60(50)66-62(44)52)30-32-48(54)47-31-29-39(35-53(47)45-19-7-8-20-46(45)55(56)37-57(58)63)43-23-13-25-51-49-21-9-11-27-59(49)65-61(43)51/h1-32,35-38H,33-34H2/b48-47-,53-45-,55-46-,56-54-.
What are the key properties of 4,11-di(dibenzofuran-4-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene?
4,11-di(dibenzofuran-4-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene has a molecular weight of 845.01 g/mol, XLogP of 17.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-di(dibenzofuran-4-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene is sourced from PubChem (CID 134428155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).