6'-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]

C44H26N2 — CID 142606953

About 6'-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]

6'-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] (PubChem CID 142606953) has the molecular formula C44H26N2 and a molecular weight of 582.71 g/mol. Its IUPAC name is 6'-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole].

Molecular Properties

• Compound Name: 6'-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
• PubChem CID: 142606953
• Molecular Formula: C44H26N2
• Molecular Weight: 582.71 g/mol
• Exact Mass: 582.21
• IUPAC Name: 6'-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
• SMILES: c1ccc2c(c1)-c1ccccc1C21c2ccccc2-n2c1nc1cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c12
• InChI: InChI=1S/C44H26N2/c1-2-14-31-29(12-1)30-13-3-4-15-32(30)36-26-27(24-25-33(31)36)28-18-11-22-40-42(28)46-41-23-10-9-21-39(41)44(43(46)45-40)37-19-7-5-16-34(37)35-17-6-8-20-38(35)44/h1-26H
• InChIKey: RSDTUVVBKFEWNX-UHFFFAOYSA-N
• XLogP: 10.83
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.71
LogP ≤ 5	10.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6'-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?

The IUPAC name of 6'-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] (CID 142606953) is 6'-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole].

What is the SMILES notation for 6'-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?

The canonical SMILES for 6'-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-n2c1nc1cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c12.

What is the InChIKey of 6'-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?

The InChIKey is RSDTUVVBKFEWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N2/c1-2-14-31-29(12-1)30-13-3-4-15-32(30)36-26-27(24-25-33(31)36)28-18-11-22-40-42(28)46-41-23-10-9-21-39(41)44(43(46)45-40)37-19-7-5-16-34(37)35-17-6-8-20-38(35)44/h1-26H.

What are the key properties of 6'-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?

6'-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] has a molecular weight of 582.71 g/mol, XLogP of 10.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6'-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] is sourced from PubChem (CID 142606953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).