16,38-di(dibenzofuran-2-yl)-3,25-diphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene

C78H42N4O2 — CID 146497436

About 16,38-di(dibenzofuran-2-yl)-3,25-diphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene

16,38-di(dibenzofuran-2-yl)-3,25-diphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene (PubChem CID 146497436) has the molecular formula C78H42N4O2 and a molecular weight of 1067.22 g/mol. Its IUPAC name is 16,38-di(dibenzofuran-2-yl)-3,25-diphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene.

Molecular Properties

• Compound Name: 16,38-di(dibenzofuran-2-yl)-3,25-diphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene
• PubChem CID: 146497436
• Molecular Formula: C78H42N4O2
• Molecular Weight: 1067.22 g/mol
• Exact Mass: 1066.33
• IUPAC Name: 16,38-di(dibenzofuran-2-yl)-3,25-diphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene
• SMILES: c1ccc(-c2c3c4cccc5c6c7c(ccc6n(c3c(-c3ccccc3)c3c6cccc8c9c%10c(ccc9n(c23)c68)c2ccccc2n%10-c2ccc3oc6ccccc6c3c2)c45)c2ccccc2n7-c2ccc3oc4ccccc4c3c2)cc1
• InChI: InChI=1S/C78H42N4O2/c1-3-17-43(18-4-1)67-71-55-27-15-25-53-70-62(38-36-52-48-22-8-12-30-60(48)80(76(52)70)46-34-40-66-58(42-46)50-24-10-14-32-64(50)84-66)82(73(53)55)78(71)68(44-19-5-2-6-20-44)72-56-28-16-26-54-69-61(81(74(54)56)77(67)72)37-35-51-47-21-7-11-29-59(47)79(75(51)69)45-33-39-65-57(41-45)49-23-9-13-31-63(49)83-65/h1-42H
• InChIKey: LZRQHJUIWCGZNS-UHFFFAOYSA-N
• XLogP: 21.31
• TPSA: 44.96 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1067.22
LogP ≤ 5	21.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 16,38-di(dibenzofuran-2-yl)-3,25-diphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene?

The IUPAC name of 16,38-di(dibenzofuran-2-yl)-3,25-diphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene (CID 146497436) is 16,38-di(dibenzofuran-2-yl)-3,25-diphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene.

What is the SMILES notation for 16,38-di(dibenzofuran-2-yl)-3,25-diphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene?

The canonical SMILES for 16,38-di(dibenzofuran-2-yl)-3,25-diphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene is c1ccc(-c2c3c4cccc5c6c7c(ccc6n(c3c(-c3ccccc3)c3c6cccc8c9c%10c(ccc9n(c23)c68)c2ccccc2n%10-c2ccc3oc6ccccc6c3c2)c45)c2ccccc2n7-c2ccc3oc4ccccc4c3c2)cc1.

What is the InChIKey of 16,38-di(dibenzofuran-2-yl)-3,25-diphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene?

The InChIKey is LZRQHJUIWCGZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H42N4O2/c1-3-17-43(18-4-1)67-71-55-27-15-25-53-70-62(38-36-52-48-22-8-12-30-60(48)80(76(52)70)46-34-40-66-58(42-46)50-24-10-14-32-64(50)84-66)82(73(53)55)78(71)68(44-19-5-2-6-20-44)72-56-28-16-26-54-69-61(81(74(54)56)77(67)72)37-35-51-47-21-7-11-29-59(47)79(75(51)69)45-33-39-65-57(41-45)49-23-9-13-31-63(49)83-65/h1-42H.

What are the key properties of 16,38-di(dibenzofuran-2-yl)-3,25-diphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene?

16,38-di(dibenzofuran-2-yl)-3,25-diphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene has a molecular weight of 1067.22 g/mol, XLogP of 21.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 16,38-di(dibenzofuran-2-yl)-3,25-diphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene is sourced from PubChem (CID 146497436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).