2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-4-[3-[9-[4-phenyl-6-[6-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]carbazol-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine

C98H55N11O2S2 — CID 148679221

About 2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-4-[3-[9-[4-phenyl-6-[6-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]carbazol-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine

2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-4-[3-[9-[4-phenyl-6-[6-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]carbazol-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 148679221) has the molecular formula C98H55N11O2S2 and a molecular weight of 1482.73 g/mol. Its IUPAC name is 2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-4-[3-[9-[4-phenyl-6-[6-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]carbazol-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-4-[3-[9-[4-phenyl-6-[6-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]carbazol-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
• PubChem CID: 148679221
• Molecular Formula: C98H55N11O2S2
• Molecular Weight: 1482.73 g/mol
• Exact Mass: 1481.40
• IUPAC Name: 2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-4-[3-[9-[4-phenyl-6-[6-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]carbazol-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5c(-c6ccc(-c7nc(-c8cccc(-c9cccc%10c9c9ccccc9n%10-c9nc(-c%10ccccc%10)nc(-c%10cccc%11sc%12c(-c%13nc(-c%14ccccc%14)c%14oc%15ccccc%15c%14n%13)cccc%12c%10%11)n9)c8)c8oc9ccccc9c8n7)cc6)cccc5c34)n2)cc1
• InChI: InChI=1S/C98H55N11O2S2/c1-5-25-57(26-6-1)83-87-86(68-37-15-18-48-77(68)110-87)102-97(100-83)73-44-21-41-70-82-72(43-24-50-79(82)113-90(70)73)96-106-94(60-31-11-4-12-32-60)107-98(108-96)109-74-45-16-13-35-66(74)80-64(38-22-46-75(80)109)62-33-19-34-63(55-62)84-88-85(67-36-14-17-47-76(67)111-88)101-91(99-84)61-53-51-56(52-54-61)65-39-20-40-69-81-71(42-23-49-78(81)112-89(65)69)95-104-92(58-27-7-2-8-28-58)103-93(105-95)59-29-9-3-10-30-59/h1-55H
• InChIKey: NRGJGPYXXNFCJW-UHFFFAOYSA-N
• XLogP: 25.61
• TPSA: 160.11 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1482.73
LogP ≤ 5	25.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-4-[3-[9-[4-phenyl-6-[6-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]carbazol-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?

The IUPAC name of 2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-4-[3-[9-[4-phenyl-6-[6-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]carbazol-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine (CID 148679221) is 2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-4-[3-[9-[4-phenyl-6-[6-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]carbazol-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine.

What is the SMILES notation for 2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-4-[3-[9-[4-phenyl-6-[6-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]carbazol-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?

The canonical SMILES for 2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-4-[3-[9-[4-phenyl-6-[6-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]carbazol-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5c(-c6ccc(-c7nc(-c8cccc(-c9cccc%10c9c9ccccc9n%10-c9nc(-c%10ccccc%10)nc(-c%10cccc%11sc%12c(-c%13nc(-c%14ccccc%14)c%14oc%15ccccc%15c%14n%13)cccc%12c%10%11)n9)c8)c8oc9ccccc9c8n7)cc6)cccc5c34)n2)cc1.

What is the InChIKey of 2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-4-[3-[9-[4-phenyl-6-[6-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]carbazol-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?

The InChIKey is NRGJGPYXXNFCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H55N11O2S2/c1-5-25-57(26-6-1)83-87-86(68-37-15-18-48-77(68)110-87)102-97(100-83)73-44-21-41-70-82-72(43-24-50-79(82)113-90(70)73)96-106-94(60-31-11-4-12-32-60)107-98(108-96)109-74-45-16-13-35-66(74)80-64(38-22-46-75(80)109)62-33-19-34-63(55-62)84-88-85(67-36-14-17-47-76(67)111-88)101-91(99-84)61-53-51-56(52-54-61)65-39-20-40-69-81-71(42-23-49-78(81)112-89(65)69)95-104-92(58-27-7-2-8-28-58)103-93(105-95)59-29-9-3-10-30-59/h1-55H.

What are the key properties of 2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-4-[3-[9-[4-phenyl-6-[6-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]carbazol-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?

2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-4-[3-[9-[4-phenyl-6-[6-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]carbazol-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 1482.73 g/mol, XLogP of 25.61, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-4-[3-[9-[4-phenyl-6-[6-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]carbazol-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 148679221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).