15-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-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-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-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)dibenzothiophen-2-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

C165H93N15OS2 — CID 163418932

About 15-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-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-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-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)dibenzothiophen-2-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-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-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-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-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)dibenzothiophen-2-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 163418932) has the molecular formula C165H93N15OS2 and a molecular weight of 2365.80 g/mol. Its IUPAC name is 15-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-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-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-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)dibenzothiophen-2-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-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-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-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-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)dibenzothiophen-2-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: 163418932
• Molecular Formula: C165H93N15OS2
• Molecular Weight: 2365.80 g/mol
• Exact Mass: 2363.71
• IUPAC Name: 15-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-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-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-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)dibenzothiophen-2-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(-c3cc(-n4c5cc6c(cc5c5c7ccccc7ccc54)c4cccc5c7ccccc7n6c54)c4oc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5cc6c(cc5c5c7ccccc7ccc54)c4cccc5c7ccccc7n6c54)cc4c3sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5cc6c(cc5c5c7ccccc7ccc54)c4cccc5c7ccccc7n6c54)cc4sc5ccccc5c34)n2)cc1
• InChI: InChI=1S/C55H31N5O.2C55H31N5S/c1-3-15-33(16-4-1)53-56-54(34-17-5-2-6-18-34)58-55(57-53)35-28-42-38-21-10-12-25-49(38)61-52(42)48(29-35)59-45-27-26-32-14-7-8-19-36(32)50(45)43-30-41-40-23-13-22-39-37-20-9-11-24-44(37)60(51(39)40)46(41)31-47(43)59;1-3-15-33(16-4-1)53-56-54(34-17-5-2-6-18-34)58-55(57-53)43-28-35(29-49-51(43)40-21-10-12-25-48(40)61-49)59-45-27-26-32-14-7-8-19-36(32)50(45)42-30-41-39-23-13-22-38-37-20-9-11-24-44(37)60(52(38)39)46(41)31-47(42)59;1-3-15-33(16-4-1)53-56-54(34-17-5-2-6-18-34)58-55(57-53)44-29-35(28-42-38-21-10-12-25-49(38)61-52(42)44)59-46-27-26-32-14-7-8-19-36(32)50(46)43-30-41-40-23-13-22-39-37-20-9-11-24-45(37)60(51(39)40)47(41)31-48(43)59/h3*1-31H
• InChIKey: AGULEXXYGPWQGS-UHFFFAOYSA-N
• XLogP: 43.45
• TPSA: 157.17 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2365.80
LogP ≤ 5	43.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 15-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-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-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-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)dibenzothiophen-2-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-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-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-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-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)dibenzothiophen-2-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 163418932) is 15-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-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-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-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)dibenzothiophen-2-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-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-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-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-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)dibenzothiophen-2-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-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-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-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-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)dibenzothiophen-2-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(-c3cc(-n4c5cc6c(cc5c5c7ccccc7ccc54)c4cccc5c7ccccc7n6c54)c4oc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5cc6c(cc5c5c7ccccc7ccc54)c4cccc5c7ccccc7n6c54)cc4c3sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5cc6c(cc5c5c7ccccc7ccc54)c4cccc5c7ccccc7n6c54)cc4sc5ccccc5c34)n2)cc1.

What is the InChIKey of 15-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-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-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-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)dibenzothiophen-2-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 AGULEXXYGPWQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H31N5O.2C55H31N5S/c1-3-15-33(16-4-1)53-56-54(34-17-5-2-6-18-34)58-55(57-53)35-28-42-38-21-10-12-25-49(38)61-52(42)48(29-35)59-45-27-26-32-14-7-8-19-36(32)50(45)43-30-41-40-23-13-22-39-37-20-9-11-24-44(37)60(51(39)40)46(41)31-47(43)59;1-3-15-33(16-4-1)53-56-54(34-17-5-2-6-18-34)58-55(57-53)43-28-35(29-49-51(43)40-21-10-12-25-48(40)61-49)59-45-27-26-32-14-7-8-19-36(32)50(45)42-30-41-39-23-13-22-38-37-20-9-11-24-44(37)60(52(38)39)46(41)31-47(42)59;1-3-15-33(16-4-1)53-56-54(34-17-5-2-6-18-34)58-55(57-53)44-29-35(28-42-38-21-10-12-25-49(38)61-52(42)44)59-46-27-26-32-14-7-8-19-36(32)50(46)43-30-41-40-23-13-22-39-37-20-9-11-24-45(37)60(51(39)40)47(41)31-48(43)59/h3*1-31H.

What are the key properties of 15-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-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-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-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)dibenzothiophen-2-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-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-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-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-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)dibenzothiophen-2-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 2365.80 g/mol, XLogP of 43.45, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 15-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-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-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-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)dibenzothiophen-2-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 163418932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).