15-[4-(4,6-diphenyl-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

C55H31N5O — CID 162507195

About 15-[4-(4,6-diphenyl-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-(4,6-diphenyl-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 162507195) has the molecular formula C55H31N5O and a molecular weight of 777.89 g/mol. Its IUPAC name is 15-[4-(4,6-diphenyl-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-(4,6-diphenyl-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: 162507195
• Molecular Formula: C55H31N5O
• Molecular Weight: 777.89 g/mol
• Exact Mass: 777.25
• IUPAC Name: 15-[4-(4,6-diphenyl-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(-c3ccccc3)nc(-c3ccc(-n4c5cc6c(cc5c5c7ccccc7ccc54)c4cccc5c7ccccc7n6c54)c4c3oc3ccccc34)n2)cc1
• InChI: InChI=1S/C55H31N5O/c1-3-15-33(16-4-1)53-56-54(34-17-5-2-6-18-34)58-55(57-53)40-27-29-45(50-39-21-10-12-25-48(39)61-52(40)50)59-44-28-26-32-14-7-8-19-35(32)49(44)42-30-41-38-23-13-22-37-36-20-9-11-24-43(36)60(51(37)38)46(41)31-47(42)59/h1-31H
• InChIKey: JYNWOUCYVBYLOY-UHFFFAOYSA-N
• XLogP: 14.17
• TPSA: 61.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	777.89
LogP ≤ 5	14.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 15-[4-(4,6-diphenyl-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-(4,6-diphenyl-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 162507195) is 15-[4-(4,6-diphenyl-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-(4,6-diphenyl-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-(4,6-diphenyl-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(-c3ccccc3)nc(-c3ccc(-n4c5cc6c(cc5c5c7ccccc7ccc54)c4cccc5c7ccccc7n6c54)c4c3oc3ccccc34)n2)cc1.

What is the InChIKey of 15-[4-(4,6-diphenyl-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 JYNWOUCYVBYLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H31N5O/c1-3-15-33(16-4-1)53-56-54(34-17-5-2-6-18-34)58-55(57-53)40-27-29-45(50-39-21-10-12-25-48(39)61-52(40)50)59-44-28-26-32-14-7-8-19-35(32)49(44)42-30-41-38-23-13-22-37-36-20-9-11-24-43(36)60(51(37)38)46(41)31-47(42)59/h1-31H.

What are the key properties of 15-[4-(4,6-diphenyl-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-(4,6-diphenyl-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 777.89 g/mol, XLogP of 14.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 15-[4-(4,6-diphenyl-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 162507195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).