3-[8-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole

C69H38N4O2S2 — CID 168768745

About 3-[8-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole

3-[8-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole (PubChem CID 168768745) has the molecular formula C69H38N4O2S2 and a molecular weight of 1019.22 g/mol. Its IUPAC name is 3-[8-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[8-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole
• PubChem CID: 168768745
• Molecular Formula: C69H38N4O2S2
• Molecular Weight: 1019.22 g/mol
• Exact Mass: 1018.24
• IUPAC Name: 3-[8-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4cccc5sc6ccc(-c7ccc8oc9cccc(-c%10nc(-c%11ccc%12c(c%11)oc%11ccccc%11%12)nc(-c%11cccc%12sc%13ccccc%13c%11%12)n%10)c9c8c7)cc6c45)ccc32)cc1
• InChI: InChI=1S/C69H38N4O2S2/c1-2-13-43(14-3-1)73-54-21-7-4-15-45(54)51-37-41(28-32-55(51)73)44-18-11-25-62-65(44)53-36-40(30-34-61(53)77-62)39-29-33-57-52(35-39)64-49(19-10-23-58(64)74-57)68-70-67(42-27-31-47-46-16-5-8-22-56(46)75-59(47)38-42)71-69(72-68)50-20-12-26-63-66(50)48-17-6-9-24-60(48)76-63/h1-38H
• InChIKey: WVNPVBQXYPPZJT-UHFFFAOYSA-N
• XLogP: 19.84
• TPSA: 69.88 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1019.22
LogP ≤ 5	19.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[8-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole?

The IUPAC name of 3-[8-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole (CID 168768745) is 3-[8-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole.

What is the SMILES notation for 3-[8-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole?

The canonical SMILES for 3-[8-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4cccc5sc6ccc(-c7ccc8oc9cccc(-c%10nc(-c%11ccc%12c(c%11)oc%11ccccc%11%12)nc(-c%11cccc%12sc%13ccccc%13c%11%12)n%10)c9c8c7)cc6c45)ccc32)cc1.

What is the InChIKey of 3-[8-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole?

The InChIKey is WVNPVBQXYPPZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H38N4O2S2/c1-2-13-43(14-3-1)73-54-21-7-4-15-45(54)51-37-41(28-32-55(51)73)44-18-11-25-62-65(44)53-36-40(30-34-61(53)77-62)39-29-33-57-52(35-39)64-49(19-10-23-58(64)74-57)68-70-67(42-27-31-47-46-16-5-8-22-56(46)75-59(47)38-42)71-69(72-68)50-20-12-26-63-66(50)48-17-6-9-24-60(48)76-63/h1-38H.

What are the key properties of 3-[8-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole?

3-[8-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole has a molecular weight of 1019.22 g/mol, XLogP of 19.84, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[8-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole is sourced from PubChem (CID 168768745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).