2,3-dimethylbenzo[e]benzimidazole;1,3-dimethylbenzo[e]indazole;11-methylbenzo[b][1]benzazepine;5-methylbenzo[b]carbazole;7-methylbenzo[c]carbazole;10-methylphenothiazine;10-methylphenoxazine;5-methylpyrido[3,2-b]indole

C113H95N11OS — CID 160657496

About 2,3-dimethylbenzo[e]benzimidazole;1,3-dimethylbenzo[e]indazole;11-methylbenzo[b][1]benzazepine;5-methylbenzo[b]carbazole;7-methylbenzo[c]carbazole;10-methylphenothiazine;10-methylphenoxazine;5-methylpyrido[3,2-b]indole

2,3-dimethylbenzo[e]benzimidazole;1,3-dimethylbenzo[e]indazole;11-methylbenzo[b][1]benzazepine;5-methylbenzo[b]carbazole;7-methylbenzo[c]carbazole;10-methylphenothiazine;10-methylphenoxazine;5-methylpyrido[3,2-b]indole (PubChem CID 160657496) has the molecular formula C113H95N11OS and a molecular weight of 1655.15 g/mol. Its IUPAC name is 2,3-dimethylbenzo[e]benzimidazole;1,3-dimethylbenzo[e]indazole;11-methylbenzo[b][1]benzazepine;5-methylbenzo[b]carbazole;7-methylbenzo[c]carbazole;10-methylphenothiazine;10-methylphenoxazine;5-methylpyrido[3,2-b]indole.

Molecular Properties

• Compound Name: 2,3-dimethylbenzo[e]benzimidazole;1,3-dimethylbenzo[e]indazole;11-methylbenzo[b][1]benzazepine;5-methylbenzo[b]carbazole;7-methylbenzo[c]carbazole;10-methylphenothiazine;10-methylphenoxazine;5-methylpyrido[3,2-b]indole
• PubChem CID: 160657496
• Molecular Formula: C113H95N11OS
• Molecular Weight: 1655.15 g/mol
• Exact Mass: 1653.74
• IUPAC Name: 2,3-dimethylbenzo[e]benzimidazole;1,3-dimethylbenzo[e]indazole;11-methylbenzo[b][1]benzazepine;5-methylbenzo[b]carbazole;7-methylbenzo[c]carbazole;10-methylphenothiazine;10-methylphenoxazine;5-methylpyrido[3,2-b]indole
• SMILES: CN1c2ccccc2C=Cc2ccccc21.CN1c2ccccc2Oc2ccccc21.CN1c2ccccc2Sc2ccccc21.Cc1nc2c3ccccc3ccc2n1C.Cc1nn(C)c2ccc3ccccc3c12.Cn1c2ccccc2c2c3ccccc3ccc21.Cn1c2ccccc2c2cc3ccccc3cc21.Cn1c2ccccc2c2ncccc21
• InChI: InChI=1S/2C17H13N.C15H13N.2C13H12N2.C13H11NO.C13H11NS.C12H10N2/c1-18-16-9-5-4-8-14(16)15-10-12-6-2-3-7-13(12)11-17(15)18;1-18-15-9-5-4-8-14(15)17-13-7-3-2-6-12(13)10-11-16(17)18;1-16-14-8-4-2-6-12(14)10-11-13-7-3-5-9-15(13)16;1-9-14-13-11-6-4-3-5-10(11)7-8-12(13)15(9)2;1-9-13-11-6-4-3-5-10(11)7-8-12(13)15(2)14-9;2*1-14-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14;1-14-10-6-3-2-5-9(10)12-11(14)7-4-8-13-12/h2*2-11H,1H3;2-11H,1H3;2*3-8H,1-2H3;2*2-9H,1H3;2-8H,1H3
• InChIKey: RLFVWAVNFMTFSQ-UHFFFAOYSA-N
• XLogP: 29.18
• TPSA: 82.27 Ų
• H-Bond Acceptors: 13
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1655.15
LogP ≤ 5	29.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbenzo[e]benzimidazole;1,3-dimethylbenzo[e]indazole;11-methylbenzo[b][1]benzazepine;5-methylbenzo[b]carbazole;7-methylbenzo[c]carbazole;10-methylphenothiazine;10-methylphenoxazine;5-methylpyrido[3,2-b]indole?

The IUPAC name of 2,3-dimethylbenzo[e]benzimidazole;1,3-dimethylbenzo[e]indazole;11-methylbenzo[b][1]benzazepine;5-methylbenzo[b]carbazole;7-methylbenzo[c]carbazole;10-methylphenothiazine;10-methylphenoxazine;5-methylpyrido[3,2-b]indole (CID 160657496) is 2,3-dimethylbenzo[e]benzimidazole;1,3-dimethylbenzo[e]indazole;11-methylbenzo[b][1]benzazepine;5-methylbenzo[b]carbazole;7-methylbenzo[c]carbazole;10-methylphenothiazine;10-methylphenoxazine;5-methylpyrido[3,2-b]indole.

What is the SMILES notation for 2,3-dimethylbenzo[e]benzimidazole;1,3-dimethylbenzo[e]indazole;11-methylbenzo[b][1]benzazepine;5-methylbenzo[b]carbazole;7-methylbenzo[c]carbazole;10-methylphenothiazine;10-methylphenoxazine;5-methylpyrido[3,2-b]indole?

The canonical SMILES for 2,3-dimethylbenzo[e]benzimidazole;1,3-dimethylbenzo[e]indazole;11-methylbenzo[b][1]benzazepine;5-methylbenzo[b]carbazole;7-methylbenzo[c]carbazole;10-methylphenothiazine;10-methylphenoxazine;5-methylpyrido[3,2-b]indole is CN1c2ccccc2C=Cc2ccccc21.CN1c2ccccc2Oc2ccccc21.CN1c2ccccc2Sc2ccccc21.Cc1nc2c3ccccc3ccc2n1C.Cc1nn(C)c2ccc3ccccc3c12.Cn1c2ccccc2c2c3ccccc3ccc21.Cn1c2ccccc2c2cc3ccccc3cc21.Cn1c2ccccc2c2ncccc21.

What is the InChIKey of 2,3-dimethylbenzo[e]benzimidazole;1,3-dimethylbenzo[e]indazole;11-methylbenzo[b][1]benzazepine;5-methylbenzo[b]carbazole;7-methylbenzo[c]carbazole;10-methylphenothiazine;10-methylphenoxazine;5-methylpyrido[3,2-b]indole?

The InChIKey is RLFVWAVNFMTFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H13N.C15H13N.2C13H12N2.C13H11NO.C13H11NS.C12H10N2/c1-18-16-9-5-4-8-14(16)15-10-12-6-2-3-7-13(12)11-17(15)18;1-18-15-9-5-4-8-14(15)17-13-7-3-2-6-12(13)10-11-16(17)18;1-16-14-8-4-2-6-12(14)10-11-13-7-3-5-9-15(13)16;1-9-14-13-11-6-4-3-5-10(11)7-8-12(13)15(9)2;1-9-13-11-6-4-3-5-10(11)7-8-12(13)15(2)14-9;2*1-14-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14;1-14-10-6-3-2-5-9(10)12-11(14)7-4-8-13-12/h2*2-11H,1H3;2-11H,1H3;2*3-8H,1-2H3;2*2-9H,1H3;2-8H,1H3.

What are the key properties of 2,3-dimethylbenzo[e]benzimidazole;1,3-dimethylbenzo[e]indazole;11-methylbenzo[b][1]benzazepine;5-methylbenzo[b]carbazole;7-methylbenzo[c]carbazole;10-methylphenothiazine;10-methylphenoxazine;5-methylpyrido[3,2-b]indole?

2,3-dimethylbenzo[e]benzimidazole;1,3-dimethylbenzo[e]indazole;11-methylbenzo[b][1]benzazepine;5-methylbenzo[b]carbazole;7-methylbenzo[c]carbazole;10-methylphenothiazine;10-methylphenoxazine;5-methylpyrido[3,2-b]indole has a molecular weight of 1655.15 g/mol, XLogP of 29.18, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dimethylbenzo[e]benzimidazole;1,3-dimethylbenzo[e]indazole;11-methylbenzo[b][1]benzazepine;5-methylbenzo[b]carbazole;7-methylbenzo[c]carbazole;10-methylphenothiazine;10-methylphenoxazine;5-methylpyrido[3,2-b]indole is sourced from PubChem (CID 160657496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).