8,30-di(dibenzofuran-3-yl)-5,5,33,33-tetramethyl-19-phenyl-19-azanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene

C68H45NO2 — CID 122519444

About 8,30-di(dibenzofuran-3-yl)-5,5,33,33-tetramethyl-19-phenyl-19-azanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene

8,30-di(dibenzofuran-3-yl)-5,5,33,33-tetramethyl-19-phenyl-19-azanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene (PubChem CID 122519444) has the molecular formula C68H45NO2 and a molecular weight of 908.11 g/mol. Its IUPAC name is 8,30-di(dibenzofuran-3-yl)-5,5,33,33-tetramethyl-19-phenyl-19-azanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene.

Molecular Properties

• Compound Name: 8,30-di(dibenzofuran-3-yl)-5,5,33,33-tetramethyl-19-phenyl-19-azanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
• PubChem CID: 122519444
• Molecular Formula: C68H45NO2
• Molecular Weight: 908.11 g/mol
• Exact Mass: 907.35
• IUPAC Name: 8,30-di(dibenzofuran-3-yl)-5,5,33,33-tetramethyl-19-phenyl-19-azanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
• SMILES: CC1(C)c2cc3c4cc5c(cc4n(-c4ccccc4)c3cc2-c2c1cc(-c1ccc3c(c1)oc1ccccc13)c1ccccc21)-c1c(cc(-c2ccc3c(c2)oc2ccccc23)c2ccccc12)C5(C)C
• InChI: InChI=1S/C68H45NO2/c1-67(2)55-34-51-52-35-56-54(66-48-23-11-9-19-42(48)50(33-58(66)68(56,3)4)39-27-29-46-44-21-13-15-25-62(44)71-64(46)31-39)37-60(52)69(40-16-6-5-7-17-40)59(51)36-53(55)65-47-22-10-8-18-41(47)49(32-57(65)67)38-26-28-45-43-20-12-14-24-61(43)70-63(45)30-38/h5-37H,1-4H3
• InChIKey: XSDIMSBWTJSEOF-UHFFFAOYSA-N
• XLogP: 18.84
• TPSA: 31.21 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	908.11
LogP ≤ 5	18.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 8,30-di(dibenzofuran-3-yl)-5,5,33,33-tetramethyl-19-phenyl-19-azanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene?

The IUPAC name of 8,30-di(dibenzofuran-3-yl)-5,5,33,33-tetramethyl-19-phenyl-19-azanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene (CID 122519444) is 8,30-di(dibenzofuran-3-yl)-5,5,33,33-tetramethyl-19-phenyl-19-azanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene.

What is the SMILES notation for 8,30-di(dibenzofuran-3-yl)-5,5,33,33-tetramethyl-19-phenyl-19-azanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene?

The canonical SMILES for 8,30-di(dibenzofuran-3-yl)-5,5,33,33-tetramethyl-19-phenyl-19-azanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene is CC1(C)c2cc3c4cc5c(cc4n(-c4ccccc4)c3cc2-c2c1cc(-c1ccc3c(c1)oc1ccccc13)c1ccccc21)-c1c(cc(-c2ccc3c(c2)oc2ccccc23)c2ccccc12)C5(C)C.

What is the InChIKey of 8,30-di(dibenzofuran-3-yl)-5,5,33,33-tetramethyl-19-phenyl-19-azanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene?

The InChIKey is XSDIMSBWTJSEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45NO2/c1-67(2)55-34-51-52-35-56-54(66-48-23-11-9-19-42(48)50(33-58(66)68(56,3)4)39-27-29-46-44-21-13-15-25-62(44)71-64(46)31-39)37-60(52)69(40-16-6-5-7-17-40)59(51)36-53(55)65-47-22-10-8-18-41(47)49(32-57(65)67)38-26-28-45-43-20-12-14-24-61(43)70-63(45)30-38/h5-37H,1-4H3.

What are the key properties of 8,30-di(dibenzofuran-3-yl)-5,5,33,33-tetramethyl-19-phenyl-19-azanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene?

8,30-di(dibenzofuran-3-yl)-5,5,33,33-tetramethyl-19-phenyl-19-azanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene has a molecular weight of 908.11 g/mol, XLogP of 18.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8,30-di(dibenzofuran-3-yl)-5,5,33,33-tetramethyl-19-phenyl-19-azanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene is sourced from PubChem (CID 122519444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).