5-[4-(4-carbazol-9-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole

C55H31N5OS — CID 167347748

About 5-[4-(4-carbazol-9-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole

5-[4-(4-carbazol-9-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole (PubChem CID 167347748) has the molecular formula C55H31N5OS and a molecular weight of 809.95 g/mol. Its IUPAC name is 5-[4-(4-carbazol-9-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[4-(4-carbazol-9-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
• PubChem CID: 167347748
• Molecular Formula: C55H31N5OS
• Molecular Weight: 809.95 g/mol
• Exact Mass: 809.22
• IUPAC Name: 5-[4-(4-carbazol-9-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
• SMILES: c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc2c(oc3ccccc32)c1-c1nc(-c2ccc3sc4ccccc4c3c2)nc(-n2c3ccccc3c3ccccc32)n1
• InChI: InChI=1S/C55H31N5OS/c1-2-14-33-31-47-41(29-32(33)13-1)37-17-5-8-20-43(37)59(47)46-27-26-40-38-18-6-11-23-48(38)61-52(40)51(46)54-56-53(34-25-28-50-42(30-34)39-19-7-12-24-49(39)62-50)57-55(58-54)60-44-21-9-3-15-35(44)36-16-4-10-22-45(36)60/h1-31H
• InChIKey: BDHKNKZRFYKGLC-UHFFFAOYSA-N
• XLogP: 14.82
• TPSA: 61.67 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	809.95
LogP ≤ 5	14.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[4-(4-carbazol-9-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole (CID 167347748) is 5-[4-(4-carbazol-9-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole.

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

The canonical SMILES for 5-[4-(4-carbazol-9-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc2c(oc3ccccc32)c1-c1nc(-c2ccc3sc4ccccc4c3c2)nc(-n2c3ccccc3c3ccccc32)n1.

What is the InChIKey of 5-[4-(4-carbazol-9-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole?

The InChIKey is BDHKNKZRFYKGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H31N5OS/c1-2-14-33-31-47-41(29-32(33)13-1)37-17-5-8-20-43(37)59(47)46-27-26-40-38-18-6-11-23-48(38)61-52(40)51(46)54-56-53(34-25-28-50-42(30-34)39-19-7-12-24-49(39)62-50)57-55(58-54)60-44-21-9-3-15-35(44)36-16-4-10-22-45(36)60/h1-31H.

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

5-[4-(4-carbazol-9-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole has a molecular weight of 809.95 g/mol, XLogP of 14.82, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(4-carbazol-9-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole is sourced from PubChem (CID 167347748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).