10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-4-ylphenyl]-2-(fluoromethyl)-1-[(Z)-prop-1-enyl]thieno[3,2-a]carbazole

C50H34FN5S — CID 156552109

About 10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-4-ylphenyl]-2-(fluoromethyl)-1-[(Z)-prop-1-enyl]thieno[3,2-a]carbazole

10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-4-ylphenyl]-2-(fluoromethyl)-1-[(Z)-prop-1-enyl]thieno[3,2-a]carbazole (PubChem CID 156552109) has the molecular formula C50H34FN5S and a molecular weight of 755.92 g/mol. Its IUPAC name is 10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-4-ylphenyl]-2-(fluoromethyl)-1-[(Z)-prop-1-enyl]thieno[3,2-a]carbazole.

Molecular Properties

• Compound Name: 10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-4-ylphenyl]-2-(fluoromethyl)-1-[(Z)-prop-1-enyl]thieno[3,2-a]carbazole
• PubChem CID: 156552109
• Molecular Formula: C50H34FN5S
• Molecular Weight: 755.92 g/mol
• Exact Mass: 755.25
• IUPAC Name: 10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-4-ylphenyl]-2-(fluoromethyl)-1-[(Z)-prop-1-enyl]thieno[3,2-a]carbazole
• SMILES: C/C=C\c1c(CF)sc2ccc3c4ccccc4n(-c4cc(-c5ccncc5)cc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)c3c12
• InChI: InChI=1S/C50H34FN5S/c1-2-12-42-45(31-51)57-44-22-21-41-40-19-9-10-20-43(40)56(47(41)46(42)44)39-29-37(32-23-25-52-26-24-32)28-38(30-39)35-17-11-18-36(27-35)50-54-48(33-13-5-3-6-14-33)53-49(55-50)34-15-7-4-8-16-34/h2-30H,31H2,1H3/b12-2-
• InChIKey: QOUFJQPEHRDVQX-OIXVIMQBSA-N
• XLogP: 13.42
• TPSA: 56.49 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	755.92
LogP ≤ 5	13.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-4-ylphenyl]-2-(fluoromethyl)-1-[(Z)-prop-1-enyl]thieno[3,2-a]carbazole?

The IUPAC name of 10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-4-ylphenyl]-2-(fluoromethyl)-1-[(Z)-prop-1-enyl]thieno[3,2-a]carbazole (CID 156552109) is 10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-4-ylphenyl]-2-(fluoromethyl)-1-[(Z)-prop-1-enyl]thieno[3,2-a]carbazole.

What is the SMILES notation for 10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-4-ylphenyl]-2-(fluoromethyl)-1-[(Z)-prop-1-enyl]thieno[3,2-a]carbazole?

The canonical SMILES for 10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-4-ylphenyl]-2-(fluoromethyl)-1-[(Z)-prop-1-enyl]thieno[3,2-a]carbazole is C/C=C\c1c(CF)sc2ccc3c4ccccc4n(-c4cc(-c5ccncc5)cc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)c3c12.

What is the InChIKey of 10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-4-ylphenyl]-2-(fluoromethyl)-1-[(Z)-prop-1-enyl]thieno[3,2-a]carbazole?

The InChIKey is QOUFJQPEHRDVQX-OIXVIMQBSA-N. The full InChI is InChI=1S/C50H34FN5S/c1-2-12-42-45(31-51)57-44-22-21-41-40-19-9-10-20-43(40)56(47(41)46(42)44)39-29-37(32-23-25-52-26-24-32)28-38(30-39)35-17-11-18-36(27-35)50-54-48(33-13-5-3-6-14-33)53-49(55-50)34-15-7-4-8-16-34/h2-30H,31H2,1H3/b12-2-.

What are the key properties of 10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-4-ylphenyl]-2-(fluoromethyl)-1-[(Z)-prop-1-enyl]thieno[3,2-a]carbazole?

10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-4-ylphenyl]-2-(fluoromethyl)-1-[(Z)-prop-1-enyl]thieno[3,2-a]carbazole has a molecular weight of 755.92 g/mol, XLogP of 13.42, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-4-ylphenyl]-2-(fluoromethyl)-1-[(Z)-prop-1-enyl]thieno[3,2-a]carbazole is sourced from PubChem (CID 156552109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).