2-(9H-carbazol-4-yl)-5-[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-thiadiazole

C37H23N5S — CID 122593977

About 2-(9H-carbazol-4-yl)-5-[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-thiadiazole

2-(9H-carbazol-4-yl)-5-[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-thiadiazole (PubChem CID 122593977) has the molecular formula C37H23N5S and a molecular weight of 569.69 g/mol. Its IUPAC name is 2-(9H-carbazol-4-yl)-5-[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-thiadiazole.

Molecular Properties

• Compound Name: 2-(9H-carbazol-4-yl)-5-[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-thiadiazole
• PubChem CID: 122593977
• Molecular Formula: C37H23N5S
• Molecular Weight: 569.69 g/mol
• Exact Mass: 569.17
• IUPAC Name: 2-(9H-carbazol-4-yl)-5-[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-thiadiazole
• SMILES: c1ccc(-c2cccc(-n3c4ccccc4c4c(-c5nnc(-c6cccc7[nH]c8ccccc8c67)s5)cccc43)n2)cc1
• InChI: InChI=1S/C37H23N5S/c1-2-11-23(12-3-1)28-18-10-22-33(39-28)42-31-20-7-5-14-25(31)35-27(16-9-21-32(35)42)37-41-40-36(43-37)26-15-8-19-30-34(26)24-13-4-6-17-29(24)38-30/h1-22,38H
• InChIKey: UNZNAWQFFIIQGI-UHFFFAOYSA-N
• XLogP: 9.67
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.69
LogP ≤ 5	9.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(9H-carbazol-4-yl)-5-[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-thiadiazole?

The IUPAC name of 2-(9H-carbazol-4-yl)-5-[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-thiadiazole (CID 122593977) is 2-(9H-carbazol-4-yl)-5-[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-thiadiazole.

What is the SMILES notation for 2-(9H-carbazol-4-yl)-5-[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-thiadiazole?

The canonical SMILES for 2-(9H-carbazol-4-yl)-5-[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-thiadiazole is c1ccc(-c2cccc(-n3c4ccccc4c4c(-c5nnc(-c6cccc7[nH]c8ccccc8c67)s5)cccc43)n2)cc1.

What is the InChIKey of 2-(9H-carbazol-4-yl)-5-[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-thiadiazole?

The InChIKey is UNZNAWQFFIIQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N5S/c1-2-11-23(12-3-1)28-18-10-22-33(39-28)42-31-20-7-5-14-25(31)35-27(16-9-21-32(35)42)37-41-40-36(43-37)26-15-8-19-30-34(26)24-13-4-6-17-29(24)38-30/h1-22,38H.

What are the key properties of 2-(9H-carbazol-4-yl)-5-[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-thiadiazole?

2-(9H-carbazol-4-yl)-5-[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-thiadiazole has a molecular weight of 569.69 g/mol, XLogP of 9.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9H-carbazol-4-yl)-5-[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 122593977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).