15-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.06,11.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene

C61H33N5O2 — CID 162507122

About 15-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.06,11.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene

15-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.06,11.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene (PubChem CID 162507122) has the molecular formula C61H33N5O2 and a molecular weight of 867.97 g/mol. Its IUPAC name is 15-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.06,11.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene.

Molecular Properties

• Compound Name: 15-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.06,11.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene
• PubChem CID: 162507122
• Molecular Formula: C61H33N5O2
• Molecular Weight: 867.97 g/mol
• Exact Mass: 867.26
• IUPAC Name: 15-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.06,11.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene
• SMILES: c1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3ccc(-n4c5cc6c(cc5c5c7ccccc7ccc54)c4cccc5c7ccccc7n6c54)c4c3oc3ccccc34)n2)cc1
• InChI: InChI=1S/C61H33N5O2/c1-2-15-35(16-3-1)59-62-60(43-24-13-23-41-38-19-7-10-26-52(38)67-57(41)43)64-61(63-59)44-29-31-49(55-42-20-8-11-27-53(42)68-58(44)55)65-48-30-28-34-14-4-5-17-36(34)54(48)46-32-45-40-22-12-21-39-37-18-6-9-25-47(37)66(56(39)40)50(45)33-51(46)65/h1-33H
• InChIKey: DVZPGUNTULKVNW-UHFFFAOYSA-N
• XLogP: 16.07
• TPSA: 74.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	867.97
LogP ≤ 5	16.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 15-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.06,11.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene?

The IUPAC name of 15-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.06,11.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene (CID 162507122) is 15-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.06,11.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene.

What is the SMILES notation for 15-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.06,11.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene?

The canonical SMILES for 15-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.06,11.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene is c1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3ccc(-n4c5cc6c(cc5c5c7ccccc7ccc54)c4cccc5c7ccccc7n6c54)c4c3oc3ccccc34)n2)cc1.

What is the InChIKey of 15-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.06,11.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene?

The InChIKey is DVZPGUNTULKVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H33N5O2/c1-2-15-35(16-3-1)59-62-60(43-24-13-23-41-38-19-7-10-26-52(38)67-57(41)43)64-61(63-59)44-29-31-49(55-42-20-8-11-27-53(42)68-58(44)55)65-48-30-28-34-14-4-5-17-36(34)54(48)46-32-45-40-22-12-21-39-37-18-6-9-25-47(37)66(56(39)40)50(45)33-51(46)65/h1-33H.

What are the key properties of 15-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.06,11.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene?

15-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.06,11.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene has a molecular weight of 867.97 g/mol, XLogP of 16.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 15-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.06,11.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene is sourced from PubChem (CID 162507122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).