4-[6-[9-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-2-pyridinyl]pyridine-2-carbonitrile

C51H28N6 — CID 118397326

About 4-[6-[9-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-2-pyridinyl]pyridine-2-carbonitrile

4-[6-[9-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-2-pyridinyl]pyridine-2-carbonitrile (PubChem CID 118397326) has the molecular formula C51H28N6 and a molecular weight of 724.83 g/mol. Its IUPAC name is 4-[6-[9-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-2-pyridinyl]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[9-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-2-pyridinyl]pyridine-2-carbonitrile
• PubChem CID: 118397326
• Molecular Formula: C51H28N6
• Molecular Weight: 724.83 g/mol
• Exact Mass: 724.24
• IUPAC Name: 4-[6-[9-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-2-pyridinyl]pyridine-2-carbonitrile
• SMILES: N#Cc1cc(-c2cccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5cccc(-c6ccnc(C#N)c6)n5)c5ccccc5c3-4)n2)ccn1
• InChI: InChI=1S/C51H28N6/c52-29-34-25-32(21-23-54-34)47-16-7-15-46(56-47)31-19-20-40-44(27-31)51(42-13-5-3-10-37(42)38-11-4-6-14-43(38)51)45-28-41(36-9-1-2-12-39(36)50(40)45)49-18-8-17-48(57-49)33-22-24-55-35(26-33)30-53/h1-28H
• InChIKey: DHYKUBZOSDTICM-UHFFFAOYSA-N
• XLogP: 11.17
• TPSA: 99.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	724.83
LogP ≤ 5	11.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[6-[9-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-2-pyridinyl]pyridine-2-carbonitrile?

The IUPAC name of 4-[6-[9-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-2-pyridinyl]pyridine-2-carbonitrile (CID 118397326) is 4-[6-[9-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-2-pyridinyl]pyridine-2-carbonitrile.

What is the SMILES notation for 4-[6-[9-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-2-pyridinyl]pyridine-2-carbonitrile?

The canonical SMILES for 4-[6-[9-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-2-pyridinyl]pyridine-2-carbonitrile is N#Cc1cc(-c2cccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5cccc(-c6ccnc(C#N)c6)n5)c5ccccc5c3-4)n2)ccn1.

What is the InChIKey of 4-[6-[9-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-2-pyridinyl]pyridine-2-carbonitrile?

The InChIKey is DHYKUBZOSDTICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H28N6/c52-29-34-25-32(21-23-54-34)47-16-7-15-46(56-47)31-19-20-40-44(27-31)51(42-13-5-3-10-37(42)38-11-4-6-14-43(38)51)45-28-41(36-9-1-2-12-39(36)50(40)45)49-18-8-17-48(57-49)33-22-24-55-35(26-33)30-53/h1-28H.

What are the key properties of 4-[6-[9-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-2-pyridinyl]pyridine-2-carbonitrile?

4-[6-[9-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-2-pyridinyl]pyridine-2-carbonitrile has a molecular weight of 724.83 g/mol, XLogP of 11.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[9-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-2-pyridinyl]pyridine-2-carbonitrile is sourced from PubChem (CID 118397326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).