9-[2-(5-dibenzofuran-2-yl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole

C52H29F6N5O — CID 162573796

About 9-[2-(5-dibenzofuran-2-yl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole

9-[2-(5-dibenzofuran-2-yl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole (PubChem CID 162573796) has the molecular formula C52H29F6N5O and a molecular weight of 853.83 g/mol. Its IUPAC name is 9-[2-(5-dibenzofuran-2-yl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole.

Molecular Properties

• Compound Name: 9-[2-(5-dibenzofuran-2-yl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole
• PubChem CID: 162573796
• Molecular Formula: C52H29F6N5O
• Molecular Weight: 853.83 g/mol
• Exact Mass: 853.23
• IUPAC Name: 9-[2-(5-dibenzofuran-2-yl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole
• SMILES: FC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cncc(-c2ccc3oc4ccccc4c3c2)c1
• InChI: InChI=1S/C52H29F6N5O/c53-51(54,55)36-17-20-44-40(26-36)41-27-37(52(56,57)58)18-21-45(41)63(44)43-19-15-33(50-61-48(30-9-3-1-4-10-30)60-49(62-50)31-11-5-2-6-12-31)25-39(43)35-23-34(28-59-29-35)32-16-22-47-42(24-32)38-13-7-8-14-46(38)64-47/h1-29H
• InChIKey: FDESYFCYYKOMLI-UHFFFAOYSA-N
• XLogP: 14.64
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.83
LogP ≤ 5	14.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[2-(5-dibenzofuran-2-yl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole?

The IUPAC name of 9-[2-(5-dibenzofuran-2-yl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole (CID 162573796) is 9-[2-(5-dibenzofuran-2-yl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole.

What is the SMILES notation for 9-[2-(5-dibenzofuran-2-yl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole?

The canonical SMILES for 9-[2-(5-dibenzofuran-2-yl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole is FC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cncc(-c2ccc3oc4ccccc4c3c2)c1.

What is the InChIKey of 9-[2-(5-dibenzofuran-2-yl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole?

The InChIKey is FDESYFCYYKOMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H29F6N5O/c53-51(54,55)36-17-20-44-40(26-36)41-27-37(52(56,57)58)18-21-45(41)63(44)43-19-15-33(50-61-48(30-9-3-1-4-10-30)60-49(62-50)31-11-5-2-6-12-31)25-39(43)35-23-34(28-59-29-35)32-16-22-47-42(24-32)38-13-7-8-14-46(38)64-47/h1-29H.

What are the key properties of 9-[2-(5-dibenzofuran-2-yl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole?

9-[2-(5-dibenzofuran-2-yl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole has a molecular weight of 853.83 g/mol, XLogP of 14.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-(5-dibenzofuran-2-yl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole is sourced from PubChem (CID 162573796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).