9-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-6-methylimidazo[1,2-c][2,1,3]benzothiadiazine 5,5-dioxide

C31H27N5O3S — CID 155616144

About 9-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-6-methylimidazo[1,2-c][2,1,3]benzothiadiazine 5,5-dioxide

9-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-6-methylimidazo[1,2-c][2,1,3]benzothiadiazine 5,5-dioxide (PubChem CID 155616144) has the molecular formula C31H27N5O3S and a molecular weight of 549.66 g/mol. Its IUPAC name is 9-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-6-methylimidazo[1,2-c][2,1,3]benzothiadiazine 5,5-dioxide.

Molecular Properties

• Compound Name: 9-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-6-methylimidazo[1,2-c][2,1,3]benzothiadiazine 5,5-dioxide
• PubChem CID: 155616144
• Molecular Formula: C31H27N5O3S
• Molecular Weight: 549.66 g/mol
• Exact Mass: 549.18
• IUPAC Name: 9-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-6-methylimidazo[1,2-c][2,1,3]benzothiadiazine 5,5-dioxide
• SMILES: CN1c2ccc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc2-c2nccn2S1(=O)=O
• InChI: InChI=1S/C31H27N5O3S/c1-31(2,3)20-13-14-32-29(17-20)36-27-8-6-5-7-23(27)24-11-9-22(19-28(24)36)39-21-10-12-26-25(18-21)30-33-15-16-35(30)40(37,38)34(26)4/h5-19H,1-4H3
• InChIKey: WXBIMNHXWWSEKQ-UHFFFAOYSA-N
• XLogP: 6.67
• TPSA: 82.25 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.66
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-6-methylimidazo[1,2-c][2,1,3]benzothiadiazine 5,5-dioxide?

The IUPAC name of 9-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-6-methylimidazo[1,2-c][2,1,3]benzothiadiazine 5,5-dioxide (CID 155616144) is 9-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-6-methylimidazo[1,2-c][2,1,3]benzothiadiazine 5,5-dioxide.

What is the SMILES notation for 9-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-6-methylimidazo[1,2-c][2,1,3]benzothiadiazine 5,5-dioxide?

The canonical SMILES for 9-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-6-methylimidazo[1,2-c][2,1,3]benzothiadiazine 5,5-dioxide is CN1c2ccc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc2-c2nccn2S1(=O)=O.

What is the InChIKey of 9-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-6-methylimidazo[1,2-c][2,1,3]benzothiadiazine 5,5-dioxide?

The InChIKey is WXBIMNHXWWSEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N5O3S/c1-31(2,3)20-13-14-32-29(17-20)36-27-8-6-5-7-23(27)24-11-9-22(19-28(24)36)39-21-10-12-26-25(18-21)30-33-15-16-35(30)40(37,38)34(26)4/h5-19H,1-4H3.

What are the key properties of 9-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-6-methylimidazo[1,2-c][2,1,3]benzothiadiazine 5,5-dioxide?

9-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-6-methylimidazo[1,2-c][2,1,3]benzothiadiazine 5,5-dioxide has a molecular weight of 549.66 g/mol, XLogP of 6.67, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-6-methylimidazo[1,2-c][2,1,3]benzothiadiazine 5,5-dioxide is sourced from PubChem (CID 155616144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).