9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole-4-carbonitrile

C32H29N5O — CID 155635818

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole-4-carbonitrile

9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole-4-carbonitrile (PubChem CID 155635818) has the molecular formula C32H29N5O and a molecular weight of 499.62 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole-4-carbonitrile.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole-4-carbonitrile
• PubChem CID: 155635818
• Molecular Formula: C32H29N5O
• Molecular Weight: 499.62 g/mol
• Exact Mass: 499.24
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole-4-carbonitrile
• SMILES: CN1C=CN(c2cccc(Oc3cc(C#N)c4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)C1
• InChI: InChI=1S/C32H29N5O/c1-32(2,3)23-12-13-34-30(17-23)37-28-11-6-5-10-27(28)31-22(20-33)16-26(19-29(31)37)38-25-9-7-8-24(18-25)36-15-14-35(4)21-36/h5-19H,21H2,1-4H3
• InChIKey: VNNSNCLOSNQZQM-UHFFFAOYSA-N
• XLogP: 7.32
• TPSA: 57.32 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.62
LogP ≤ 5	7.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole-4-carbonitrile?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole-4-carbonitrile (CID 155635818) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole-4-carbonitrile.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole-4-carbonitrile?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole-4-carbonitrile is CN1C=CN(c2cccc(Oc3cc(C#N)c4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)C1.

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole-4-carbonitrile?

The InChIKey is VNNSNCLOSNQZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N5O/c1-32(2,3)23-12-13-34-30(17-23)37-28-11-6-5-10-27(28)31-22(20-33)16-26(19-29(31)37)38-25-9-7-8-24(18-25)36-15-14-35(4)21-36/h5-19H,21H2,1-4H3.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole-4-carbonitrile?

9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole-4-carbonitrile has a molecular weight of 499.62 g/mol, XLogP of 7.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole-4-carbonitrile is sourced from PubChem (CID 155635818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).