2-[9-(5-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-(5-methyl-2-pyridinyl)carbazole-3-carbonitrile

C40H31N5O — CID 140906280

About 2-[9-(5-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-(5-methyl-2-pyridinyl)carbazole-3-carbonitrile

2-[9-(5-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-(5-methyl-2-pyridinyl)carbazole-3-carbonitrile (PubChem CID 140906280) has the molecular formula C40H31N5O and a molecular weight of 597.72 g/mol. Its IUPAC name is 2-[9-(5-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-(5-methyl-2-pyridinyl)carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 2-[9-(5-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-(5-methyl-2-pyridinyl)carbazole-3-carbonitrile
• PubChem CID: 140906280
• Molecular Formula: C40H31N5O
• Molecular Weight: 597.72 g/mol
• Exact Mass: 597.25
• IUPAC Name: 2-[9-(5-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-(5-methyl-2-pyridinyl)carbazole-3-carbonitrile
• SMILES: Cc1ccc(-n2c3ccccc3c3cc(C#N)c(Oc4ccc5c6ccccc6n(-c6ccc(C(C)(C)C)cn6)c5c4)cc32)nc1
• InChI: InChI=1S/C40H31N5O/c1-25-13-17-38(42-23-25)45-34-12-8-6-10-30(34)32-19-26(22-41)37(21-36(32)45)46-28-15-16-31-29-9-5-7-11-33(29)44(35(31)20-28)39-18-14-27(24-43-39)40(2,3)4/h5-21,23-24H,1-4H3
• InChIKey: GFFFDXUYSLPQSE-UHFFFAOYSA-N
• XLogP: 9.94
• TPSA: 68.66 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.72
LogP ≤ 5	9.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[9-(5-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-(5-methyl-2-pyridinyl)carbazole-3-carbonitrile?

The IUPAC name of 2-[9-(5-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-(5-methyl-2-pyridinyl)carbazole-3-carbonitrile (CID 140906280) is 2-[9-(5-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-(5-methyl-2-pyridinyl)carbazole-3-carbonitrile.

What is the SMILES notation for 2-[9-(5-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-(5-methyl-2-pyridinyl)carbazole-3-carbonitrile?

The canonical SMILES for 2-[9-(5-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-(5-methyl-2-pyridinyl)carbazole-3-carbonitrile is Cc1ccc(-n2c3ccccc3c3cc(C#N)c(Oc4ccc5c6ccccc6n(-c6ccc(C(C)(C)C)cn6)c5c4)cc32)nc1.

What is the InChIKey of 2-[9-(5-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-(5-methyl-2-pyridinyl)carbazole-3-carbonitrile?

The InChIKey is GFFFDXUYSLPQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H31N5O/c1-25-13-17-38(42-23-25)45-34-12-8-6-10-30(34)32-19-26(22-41)37(21-36(32)45)46-28-15-16-31-29-9-5-7-11-33(29)44(35(31)20-28)39-18-14-27(24-43-39)40(2,3)4/h5-21,23-24H,1-4H3.

What are the key properties of 2-[9-(5-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-(5-methyl-2-pyridinyl)carbazole-3-carbonitrile?

2-[9-(5-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-(5-methyl-2-pyridinyl)carbazole-3-carbonitrile has a molecular weight of 597.72 g/mol, XLogP of 9.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-(5-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-(5-methyl-2-pyridinyl)carbazole-3-carbonitrile is sourced from PubChem (CID 140906280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).