8,30-di(dibenzofuran-1-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 122519447

IUPAC8,30-di(dibenzofuran-1-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
SMILESCC1(C)c2cc3c4cc5c(cc4n(-c4ccccc4)c3cc2-c2c1cc(-c1cccc3oc4ccccc4c13)c1ccccc21)-c1c(cc(-c2cccc3oc4ccccc4c23)c2ccccc12)C5(C)C
InChIInChI=1S/C68H45NO2/c1-67(2)53-34-49-50-35-54-52(64-42-23-11-9-21-40(42)48(33-56(64)68(54,3)4)44-27-17-31-62-66(44)46-25-13-15-29-60(46)71-62)37-58(50)69(38-18-6-5-7-19-38)57(49)36-51(53)63-41-22-10-8-20-39(41)47(32-55(63)67)43-26-16-30-61-65(43)45-24-12-14-28-59(45)70-61/h5-37H,1-4H3
InChIKeyXGCJHZWXATXUSQ-UHFFFAOYSA-N
MW908.11 g/mol
LogP18.84
Rot. Bonds3

About 8,30-di(dibenzofuran-1-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-1-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 122519447) has the molecular formula C68H45NO2 and a molecular weight of 908.11 g/mol. Its IUPAC name is 8,30-di(dibenzofuran-1-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 Name8,30-di(dibenzofuran-1-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 CID122519447
Molecular FormulaC68H45NO2
Molecular Weight908.11 g/mol
Exact Mass907.35
IUPAC Name8,30-di(dibenzofuran-1-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
SMILESCC1(C)c2cc3c4cc5c(cc4n(-c4ccccc4)c3cc2-c2c1cc(-c1cccc3oc4ccccc4c13)c1ccccc21)-c1c(cc(-c2cccc3oc4ccccc4c23)c2ccccc12)C5(C)C
InChIInChI=1S/C68H45NO2/c1-67(2)53-34-49-50-35-54-52(64-42-23-11-9-21-40(42)48(33-56(64)68(54,3)4)44-27-17-31-62-66(44)46-25-13-15-29-60(46)71-62)37-58(50)69(38-18-6-5-7-19-38)57(49)36-51(53)63-41-22-10-8-20-39(41)47(32-55(63)67)43-26-16-30-61-65(43)45-24-12-14-28-59(45)70-61/h5-37H,1-4H3
InChIKeyXGCJHZWXATXUSQ-UHFFFAOYSA-N
XLogP18.84
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.11
LogP ≤ 518.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8,30-di(dibenzofuran-1-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8,30-di(dibenzofuran-1-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-1-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 122519447) is 8,30-di(dibenzofuran-1-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-1-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-1-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(-c1cccc3oc4ccccc4c13)c1ccccc21)-c1c(cc(-c2cccc3oc4ccccc4c23)c2ccccc12)C5(C)C.
What is the InChIKey of 8,30-di(dibenzofuran-1-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 XGCJHZWXATXUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45NO2/c1-67(2)53-34-49-50-35-54-52(64-42-23-11-9-21-40(42)48(33-56(64)68(54,3)4)44-27-17-31-62-66(44)46-25-13-15-29-60(46)71-62)37-58(50)69(38-18-6-5-7-19-38)57(49)36-51(53)63-41-22-10-8-20-39(41)47(32-55(63)67)43-26-16-30-61-65(43)45-24-12-14-28-59(45)70-61/h5-37H,1-4H3.
What are the key properties of 8,30-di(dibenzofuran-1-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-1-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-1-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 122519447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).