2-dibenzothiophen-1-yl-4-[8-[8-[8-[4-(8-fluoranthen-3-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]fluoranthen-3-yl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine

C98H52N6S4 — CID 155471037

About 2-dibenzothiophen-1-yl-4-[8-[8-[8-[4-(8-fluoranthen-3-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]fluoranthen-3-yl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine

2-dibenzothiophen-1-yl-4-[8-[8-[8-[4-(8-fluoranthen-3-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]fluoranthen-3-yl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine (PubChem CID 155471037) has the molecular formula C98H52N6S4 and a molecular weight of 1441.80 g/mol. Its IUPAC name is 2-dibenzothiophen-1-yl-4-[8-[8-[8-[4-(8-fluoranthen-3-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]fluoranthen-3-yl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzothiophen-1-yl-4-[8-[8-[8-[4-(8-fluoranthen-3-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]fluoranthen-3-yl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine
• PubChem CID: 155471037
• Molecular Formula: C98H52N6S4
• Molecular Weight: 1441.80 g/mol
• Exact Mass: 1440.31
• IUPAC Name: 2-dibenzothiophen-1-yl-4-[8-[8-[8-[4-(8-fluoranthen-3-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]fluoranthen-3-yl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccc4sc5c(-c6ccc7c(c6)-c6cccc8c(-c9ccc%10sc%11cccc(-c%12nc(-c%13ccccc%13)nc(-c%13cccc%14sc%15ccccc%15c%13%14)n%12)c%11c%10c9)ccc-7c68)cccc5c4c3)nc(-c3cccc4sc5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)cc5c34)n2)cc1
• InChI: InChI=1S/C98H52N6S4/c1-3-17-53(18-4-1)93-99-95(103-96(100-93)74-31-15-35-85-90(74)78-50-55(38-46-82(78)106-85)59-42-44-69-63-22-8-7-21-62(63)67-27-12-25-65(59)87(67)69)58-40-48-81-77(52-58)71-29-11-24-61(92(71)108-81)57-37-41-64-70-45-43-60(66-26-13-28-68(88(66)70)76(64)49-57)56-39-47-83-79(51-56)91-75(32-16-36-86(91)107-83)98-102-94(54-19-5-2-6-20-54)101-97(104-98)73-30-14-34-84-89(73)72-23-9-10-33-80(72)105-84/h1-52H
• InChIKey: ZGQQWPAPMDXZSQ-UHFFFAOYSA-N
• XLogP: 28.13
• TPSA: 77.34 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1441.80
LogP ≤ 5	28.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-1-yl-4-[8-[8-[8-[4-(8-fluoranthen-3-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]fluoranthen-3-yl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-dibenzothiophen-1-yl-4-[8-[8-[8-[4-(8-fluoranthen-3-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]fluoranthen-3-yl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine (CID 155471037) is 2-dibenzothiophen-1-yl-4-[8-[8-[8-[4-(8-fluoranthen-3-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]fluoranthen-3-yl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-dibenzothiophen-1-yl-4-[8-[8-[8-[4-(8-fluoranthen-3-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]fluoranthen-3-yl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-dibenzothiophen-1-yl-4-[8-[8-[8-[4-(8-fluoranthen-3-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]fluoranthen-3-yl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4sc5c(-c6ccc7c(c6)-c6cccc8c(-c9ccc%10sc%11cccc(-c%12nc(-c%13ccccc%13)nc(-c%13cccc%14sc%15ccccc%15c%13%14)n%12)c%11c%10c9)ccc-7c68)cccc5c4c3)nc(-c3cccc4sc5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)cc5c34)n2)cc1.

What is the InChIKey of 2-dibenzothiophen-1-yl-4-[8-[8-[8-[4-(8-fluoranthen-3-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]fluoranthen-3-yl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine?

The InChIKey is ZGQQWPAPMDXZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H52N6S4/c1-3-17-53(18-4-1)93-99-95(103-96(100-93)74-31-15-35-85-90(74)78-50-55(38-46-82(78)106-85)59-42-44-69-63-22-8-7-21-62(63)67-27-12-25-65(59)87(67)69)58-40-48-81-77(52-58)71-29-11-24-61(92(71)108-81)57-37-41-64-70-45-43-60(66-26-13-28-68(88(66)70)76(64)49-57)56-39-47-83-79(51-56)91-75(32-16-36-86(91)107-83)98-102-94(54-19-5-2-6-20-54)101-97(104-98)73-30-14-34-84-89(73)72-23-9-10-33-80(72)105-84/h1-52H.

What are the key properties of 2-dibenzothiophen-1-yl-4-[8-[8-[8-[4-(8-fluoranthen-3-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]fluoranthen-3-yl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine?

2-dibenzothiophen-1-yl-4-[8-[8-[8-[4-(8-fluoranthen-3-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]fluoranthen-3-yl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 1441.80 g/mol, XLogP of 28.13, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzothiophen-1-yl-4-[8-[8-[8-[4-(8-fluoranthen-3-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]fluoranthen-3-yl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 155471037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).