15-[4-dibenzothiophen-2-yl-6-[6-[15-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-7,7-dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13(18),14,16-octaen-4-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-7,7-dimethyl-4-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaene

C92H54N8OS5 — CID 129015215

About 15-[4-dibenzothiophen-2-yl-6-[6-[15-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-7,7-dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13(18),14,16-octaen-4-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-7,7-dimethyl-4-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaene

15-[4-dibenzothiophen-2-yl-6-[6-[15-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-7,7-dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13(18),14,16-octaen-4-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-7,7-dimethyl-4-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaene (PubChem CID 129015215) has the molecular formula C92H54N8OS5 and a molecular weight of 1447.83 g/mol. Its IUPAC name is 15-[4-dibenzothiophen-2-yl-6-[6-[15-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-7,7-dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13(18),14,16-octaen-4-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-7,7-dimethyl-4-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaene.

Molecular Properties

• Compound Name: 15-[4-dibenzothiophen-2-yl-6-[6-[15-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-7,7-dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13(18),14,16-octaen-4-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-7,7-dimethyl-4-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaene
• PubChem CID: 129015215
• Molecular Formula: C92H54N8OS5
• Molecular Weight: 1447.83 g/mol
• Exact Mass: 1446.30
• IUPAC Name: 15-[4-dibenzothiophen-2-yl-6-[6-[15-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-7,7-dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13(18),14,16-octaen-4-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-7,7-dimethyl-4-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaene
• SMILES: CC1(C)c2cocc2-n2c3ccc(-c4nc(-c5ccc6sc7ccccc7c6c5)nc(-c5ccc6sc7c(-c8cc9c(s8)C(C)(C)c8cccc%10c%11cc(-c%12nc(-c%13ccc%14sc%15ccccc%15c%14c%13)nc(-c%13ccc%14sc%15ccccc%15c%14c%13)n%12)ccc%11n-9c8%10)cccc7c6c5)n4)cc3c3cccc1c32
• InChI: InChI=1S/C92H54N8OS5/c1-91(2)66-21-12-17-56-61-39-48(27-33-70(61)100(81(56)66)72-46-101-45-68(72)91)86-95-89(51-30-36-78-64(42-51)55-16-7-10-25-75(55)104-78)98-90(96-86)52-31-37-79-65(43-52)58-19-11-20-59(83(58)105-79)80-44-71-84(106-80)92(3,4)67-22-13-18-57-60-38-47(26-32-69(60)99(71)82(57)67)85-93-87(49-28-34-76-62(40-49)53-14-5-8-23-73(53)102-76)97-88(94-85)50-29-35-77-63(41-50)54-15-6-9-24-74(54)103-77/h5-46H,1-4H3
• InChIKey: BBDDACKGJHPAHP-UHFFFAOYSA-N
• XLogP: 26.32
• TPSA: 100.34 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1447.83
LogP ≤ 5	26.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 15-[4-dibenzothiophen-2-yl-6-[6-[15-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-7,7-dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13(18),14,16-octaen-4-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-7,7-dimethyl-4-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaene?

The IUPAC name of 15-[4-dibenzothiophen-2-yl-6-[6-[15-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-7,7-dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13(18),14,16-octaen-4-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-7,7-dimethyl-4-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaene (CID 129015215) is 15-[4-dibenzothiophen-2-yl-6-[6-[15-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-7,7-dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13(18),14,16-octaen-4-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-7,7-dimethyl-4-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaene.

What is the SMILES notation for 15-[4-dibenzothiophen-2-yl-6-[6-[15-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-7,7-dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13(18),14,16-octaen-4-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-7,7-dimethyl-4-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaene?

The canonical SMILES for 15-[4-dibenzothiophen-2-yl-6-[6-[15-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-7,7-dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13(18),14,16-octaen-4-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-7,7-dimethyl-4-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaene is CC1(C)c2cocc2-n2c3ccc(-c4nc(-c5ccc6sc7ccccc7c6c5)nc(-c5ccc6sc7c(-c8cc9c(s8)C(C)(C)c8cccc%10c%11cc(-c%12nc(-c%13ccc%14sc%15ccccc%15c%14c%13)nc(-c%13ccc%14sc%15ccccc%15c%14c%13)n%12)ccc%11n-9c8%10)cccc7c6c5)n4)cc3c3cccc1c32.

What is the InChIKey of 15-[4-dibenzothiophen-2-yl-6-[6-[15-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-7,7-dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13(18),14,16-octaen-4-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-7,7-dimethyl-4-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaene?

The InChIKey is BBDDACKGJHPAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H54N8OS5/c1-91(2)66-21-12-17-56-61-39-48(27-33-70(61)100(81(56)66)72-46-101-45-68(72)91)86-95-89(51-30-36-78-64(42-51)55-16-7-10-25-75(55)104-78)98-90(96-86)52-31-37-79-65(43-52)58-19-11-20-59(83(58)105-79)80-44-71-84(106-80)92(3,4)67-22-13-18-57-60-38-47(26-32-69(60)99(71)82(57)67)85-93-87(49-28-34-76-62(40-49)53-14-5-8-23-73(53)102-76)97-88(94-85)50-29-35-77-63(41-50)54-15-6-9-24-74(54)103-77/h5-46H,1-4H3.

What are the key properties of 15-[4-dibenzothiophen-2-yl-6-[6-[15-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-7,7-dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13(18),14,16-octaen-4-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-7,7-dimethyl-4-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaene?

15-[4-dibenzothiophen-2-yl-6-[6-[15-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-7,7-dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13(18),14,16-octaen-4-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-7,7-dimethyl-4-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaene has a molecular weight of 1447.83 g/mol, XLogP of 26.32, 7 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 15-[4-dibenzothiophen-2-yl-6-[6-[15-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-7,7-dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13(18),14,16-octaen-4-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-7,7-dimethyl-4-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaene is sourced from PubChem (CID 129015215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).