2-[6-[7-[6-(2,3-dihydro-1,3-thiazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-2-yl]-2-pyridinyl]-1,3-thiazole

C34H23N5S2 — CID 144730137

About 2-[6-[7-[6-(2,3-dihydro-1,3-thiazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-2-yl]-2-pyridinyl]-1,3-thiazole

2-[6-[7-[6-(2,3-dihydro-1,3-thiazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-2-yl]-2-pyridinyl]-1,3-thiazole (PubChem CID 144730137) has the molecular formula C34H23N5S2 and a molecular weight of 565.73 g/mol. Its IUPAC name is 2-[6-[7-[6-(2,3-dihydro-1,3-thiazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-2-yl]-2-pyridinyl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[6-[7-[6-(2,3-dihydro-1,3-thiazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-2-yl]-2-pyridinyl]-1,3-thiazole
• PubChem CID: 144730137
• Molecular Formula: C34H23N5S2
• Molecular Weight: 565.73 g/mol
• Exact Mass: 565.14
• IUPAC Name: 2-[6-[7-[6-(2,3-dihydro-1,3-thiazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-2-yl]-2-pyridinyl]-1,3-thiazole
• SMILES: C1=CSC(c2cccc(-c3ccc4c5ccc(-c6cccc(-c7nccs7)n6)cc5n(-c5ccccc5)c4c3)n2)N1
• InChI: InChI=1S/C34H23N5S2/c1-2-6-24(7-3-1)39-31-20-22(27-8-4-10-29(37-27)33-35-16-18-40-33)12-14-25(31)26-15-13-23(21-32(26)39)28-9-5-11-30(38-28)34-36-17-19-41-34/h1-21,33,35H
• InChIKey: ZJPSHCKOKLKRLD-UHFFFAOYSA-N
• XLogP: 8.84
• TPSA: 55.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.73
LogP ≤ 5	8.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[6-[7-[6-(2,3-dihydro-1,3-thiazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-2-yl]-2-pyridinyl]-1,3-thiazole?

The IUPAC name of 2-[6-[7-[6-(2,3-dihydro-1,3-thiazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-2-yl]-2-pyridinyl]-1,3-thiazole (CID 144730137) is 2-[6-[7-[6-(2,3-dihydro-1,3-thiazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-2-yl]-2-pyridinyl]-1,3-thiazole.

What is the SMILES notation for 2-[6-[7-[6-(2,3-dihydro-1,3-thiazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-2-yl]-2-pyridinyl]-1,3-thiazole?

The canonical SMILES for 2-[6-[7-[6-(2,3-dihydro-1,3-thiazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-2-yl]-2-pyridinyl]-1,3-thiazole is C1=CSC(c2cccc(-c3ccc4c5ccc(-c6cccc(-c7nccs7)n6)cc5n(-c5ccccc5)c4c3)n2)N1.

What is the InChIKey of 2-[6-[7-[6-(2,3-dihydro-1,3-thiazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-2-yl]-2-pyridinyl]-1,3-thiazole?

The InChIKey is ZJPSHCKOKLKRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N5S2/c1-2-6-24(7-3-1)39-31-20-22(27-8-4-10-29(37-27)33-35-16-18-40-33)12-14-25(31)26-15-13-23(21-32(26)39)28-9-5-11-30(38-28)34-36-17-19-41-34/h1-21,33,35H.

What are the key properties of 2-[6-[7-[6-(2,3-dihydro-1,3-thiazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-2-yl]-2-pyridinyl]-1,3-thiazole?

2-[6-[7-[6-(2,3-dihydro-1,3-thiazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-2-yl]-2-pyridinyl]-1,3-thiazole has a molecular weight of 565.73 g/mol, XLogP of 8.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[7-[6-(2,3-dihydro-1,3-thiazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-2-yl]-2-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 144730137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).