5-methylbenzimidazolo[1,2-a]benzimidazole;9-methylcarbazole;10-methylphenothiazine;10-methylphenoxazine;5-methyl-10-phenylphenazine;9,9,10-trimethylacridine

C88H77N9OS — CID 158530522

About 5-methylbenzimidazolo[1,2-a]benzimidazole;9-methylcarbazole;10-methylphenothiazine;10-methylphenoxazine;5-methyl-10-phenylphenazine;9,9,10-trimethylacridine

5-methylbenzimidazolo[1,2-a]benzimidazole;9-methylcarbazole;10-methylphenothiazine;10-methylphenoxazine;5-methyl-10-phenylphenazine;9,9,10-trimethylacridine (PubChem CID 158530522) has the molecular formula C88H77N9OS and a molecular weight of 1308.71 g/mol. Its IUPAC name is 5-methylbenzimidazolo[1,2-a]benzimidazole;9-methylcarbazole;10-methylphenothiazine;10-methylphenoxazine;5-methyl-10-phenylphenazine;9,9,10-trimethylacridine.

Molecular Properties

• Compound Name: 5-methylbenzimidazolo[1,2-a]benzimidazole;9-methylcarbazole;10-methylphenothiazine;10-methylphenoxazine;5-methyl-10-phenylphenazine;9,9,10-trimethylacridine
• PubChem CID: 158530522
• Molecular Formula: C88H77N9OS
• Molecular Weight: 1308.71 g/mol
• Exact Mass: 1307.60
• IUPAC Name: 5-methylbenzimidazolo[1,2-a]benzimidazole;9-methylcarbazole;10-methylphenothiazine;10-methylphenoxazine;5-methyl-10-phenylphenazine;9,9,10-trimethylacridine
• SMILES: CN1c2ccccc2C(C)(C)c2ccccc21.CN1c2ccccc2N(c2ccccc2)c2ccccc21.CN1c2ccccc2Oc2ccccc21.CN1c2ccccc2Sc2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2n2c3ccccc3nc12
• InChI: InChI=1S/C19H16N2.C16H17N.C14H11N3.C13H11NO.C13H11NS.C13H11N/c1-20-16-11-5-7-13-18(16)21(15-9-3-2-4-10-15)19-14-8-6-12-17(19)20;1-16(2)12-8-4-6-10-14(12)17(3)15-11-7-5-9-13(15)16;1-16-12-8-4-5-9-13(12)17-11-7-3-2-6-10(11)15-14(16)17;2*1-14-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-14H,1H3;4-11H,1-3H3;2-9H,1H3;2*2-9H,1H3;2-9H,1H3
• InChIKey: HNHPMUNUKBUWAB-UHFFFAOYSA-N
• XLogP: 23.12
• TPSA: 52.59 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 1
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1308.71
LogP ≤ 5	23.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-methylbenzimidazolo[1,2-a]benzimidazole;9-methylcarbazole;10-methylphenothiazine;10-methylphenoxazine;5-methyl-10-phenylphenazine;9,9,10-trimethylacridine?

The IUPAC name of 5-methylbenzimidazolo[1,2-a]benzimidazole;9-methylcarbazole;10-methylphenothiazine;10-methylphenoxazine;5-methyl-10-phenylphenazine;9,9,10-trimethylacridine (CID 158530522) is 5-methylbenzimidazolo[1,2-a]benzimidazole;9-methylcarbazole;10-methylphenothiazine;10-methylphenoxazine;5-methyl-10-phenylphenazine;9,9,10-trimethylacridine.

What is the SMILES notation for 5-methylbenzimidazolo[1,2-a]benzimidazole;9-methylcarbazole;10-methylphenothiazine;10-methylphenoxazine;5-methyl-10-phenylphenazine;9,9,10-trimethylacridine?

The canonical SMILES for 5-methylbenzimidazolo[1,2-a]benzimidazole;9-methylcarbazole;10-methylphenothiazine;10-methylphenoxazine;5-methyl-10-phenylphenazine;9,9,10-trimethylacridine is CN1c2ccccc2C(C)(C)c2ccccc21.CN1c2ccccc2N(c2ccccc2)c2ccccc21.CN1c2ccccc2Oc2ccccc21.CN1c2ccccc2Sc2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2n2c3ccccc3nc12.

What is the InChIKey of 5-methylbenzimidazolo[1,2-a]benzimidazole;9-methylcarbazole;10-methylphenothiazine;10-methylphenoxazine;5-methyl-10-phenylphenazine;9,9,10-trimethylacridine?

The InChIKey is HNHPMUNUKBUWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2.C16H17N.C14H11N3.C13H11NO.C13H11NS.C13H11N/c1-20-16-11-5-7-13-18(16)21(15-9-3-2-4-10-15)19-14-8-6-12-17(19)20;1-16(2)12-8-4-6-10-14(12)17(3)15-11-7-5-9-13(15)16;1-16-12-8-4-5-9-13(12)17-11-7-3-2-6-10(11)15-14(16)17;2*1-14-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-14H,1H3;4-11H,1-3H3;2-9H,1H3;2*2-9H,1H3;2-9H,1H3.

What are the key properties of 5-methylbenzimidazolo[1,2-a]benzimidazole;9-methylcarbazole;10-methylphenothiazine;10-methylphenoxazine;5-methyl-10-phenylphenazine;9,9,10-trimethylacridine?

5-methylbenzimidazolo[1,2-a]benzimidazole;9-methylcarbazole;10-methylphenothiazine;10-methylphenoxazine;5-methyl-10-phenylphenazine;9,9,10-trimethylacridine has a molecular weight of 1308.71 g/mol, XLogP of 23.12, 1 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methylbenzimidazolo[1,2-a]benzimidazole;9-methylcarbazole;10-methylphenothiazine;10-methylphenoxazine;5-methyl-10-phenylphenazine;9,9,10-trimethylacridine is sourced from PubChem (CID 158530522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).