1,2-dimethylbenzo[e]benzimidazole;2,3-dimethylbenzo[e]benzimidazole;1,3-dimethylbenzo[e]indazole;2,3-dimethylbenzo[f]benzimidazole;1,3-dimethylbenzo[f]indazole;1,3-dimethylbenzo[g]indazole;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;7-methylbenzo[c]carbazole;10-methylphenothiazine;10-methylphenoxazine;bis(5-methylpyrido[3,2-b]indole);5-methylpyrido[4,3-b]indole;9-methylpyrido[3,4-b]indole;3,6,9-trimethylcarbazole

C218H188N26OS — CID 161163534

About 1,2-dimethylbenzo[e]benzimidazole;2,3-dimethylbenzo[e]benzimidazole;1,3-dimethylbenzo[e]indazole;2,3-dimethylbenzo[f]benzimidazole;1,3-dimethylbenzo[f]indazole;1,3-dimethylbenzo[g]indazole;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;7-methylbenzo[c]carbazole;10-methylphenothiazine;10-methylphenoxazine;bis(5-methylpyrido[3,2-b]indole);5-methylpyrido[4,3-b]indole;9-methylpyrido[3,4-b]indole;3,6,9-trimethylcarbazole

1,2-dimethylbenzo[e]benzimidazole;2,3-dimethylbenzo[e]benzimidazole;1,3-dimethylbenzo[e]indazole;2,3-dimethylbenzo[f]benzimidazole;1,3-dimethylbenzo[f]indazole;1,3-dimethylbenzo[g]indazole;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;7-methylbenzo[c]carbazole;10-methylphenothiazine;10-methylphenoxazine;bis(5-methylpyrido[3,2-b]indole);5-methylpyrido[4,3-b]indole;9-methylpyrido[3,4-b]indole;3,6,9-trimethylcarbazole (PubChem CID 161163534) has the molecular formula C218H188N26OS and a molecular weight of 3220.15 g/mol. Its IUPAC name is 1,2-dimethylbenzo[e]benzimidazole;2,3-dimethylbenzo[e]benzimidazole;1,3-dimethylbenzo[e]indazole;2,3-dimethylbenzo[f]benzimidazole;1,3-dimethylbenzo[f]indazole;1,3-dimethylbenzo[g]indazole;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;7-methylbenzo[c]carbazole;10-methylphenothiazine;10-methylphenoxazine;bis(5-methylpyrido[3,2-b]indole);5-methylpyrido[4,3-b]indole;9-methylpyrido[3,4-b]indole;3,6,9-trimethylcarbazole.

Molecular Properties

• Compound Name: 1,2-dimethylbenzo[e]benzimidazole;2,3-dimethylbenzo[e]benzimidazole;1,3-dimethylbenzo[e]indazole;2,3-dimethylbenzo[f]benzimidazole;1,3-dimethylbenzo[f]indazole;1,3-dimethylbenzo[g]indazole;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;7-methylbenzo[c]carbazole;10-methylphenothiazine;10-methylphenoxazine;bis(5-methylpyrido[3,2-b]indole);5-methylpyrido[4,3-b]indole;9-methylpyrido[3,4-b]indole;3,6,9-trimethylcarbazole
• PubChem CID: 161163534
• Molecular Formula: C218H188N26OS
• Molecular Weight: 3220.15 g/mol
• Exact Mass: 3217.52
• IUPAC Name: 1,2-dimethylbenzo[e]benzimidazole;2,3-dimethylbenzo[e]benzimidazole;1,3-dimethylbenzo[e]indazole;2,3-dimethylbenzo[f]benzimidazole;1,3-dimethylbenzo[f]indazole;1,3-dimethylbenzo[g]indazole;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;7-methylbenzo[c]carbazole;10-methylphenothiazine;10-methylphenoxazine;bis(5-methylpyrido[3,2-b]indole);5-methylpyrido[4,3-b]indole;9-methylpyrido[3,4-b]indole;3,6,9-trimethylcarbazole
• SMILES: CN1c2ccccc2Oc2ccccc21.CN1c2ccccc2Sc2ccccc21.Cc1ccc2c(c1)c1cc(C)ccc1n2C.Cc1nc2c3ccccc3ccc2n1C.Cc1nc2cc3ccccc3cc2n1C.Cc1nc2ccc3ccccc3c2n1C.Cc1nn(C)c2c1ccc1ccccc12.Cc1nn(C)c2cc3ccccc3cc12.Cc1nn(C)c2ccc3ccccc3c12.Cn1c2ccccc2c2c3ccccc3ccc21.Cn1c2ccccc2c2cc3ccccc3cc21.Cn1c2ccccc2c2ccc3ccccc3c21.Cn1c2ccccc2c2ccncc21.Cn1c2ccccc2c2cnccc21.Cn1c2ccccc2c2ncccc21.Cn1c2ccccc2c2ncccc21
• InChI: InChI=1S/3C17H13N.C15H15N.6C13H12N2.C13H11NO.C13H11NS.4C12H10N2/c1-18-16-9-5-4-8-14(16)15-10-12-6-2-3-7-13(12)11-17(15)18;1-18-16-9-5-4-8-14(16)15-11-10-12-6-2-3-7-13(12)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;1-10-4-6-14-12(8-10)13-9-11(2)5-7-15(13)16(14)3;1-9-14-12-7-10-5-3-4-6-11(10)8-13(12)15(9)2;1-9-12-7-10-5-3-4-6-11(10)8-13(12)15(2)14-9;1-9-11-8-7-10-5-3-4-6-12(10)13(11)15(2)14-9;1-9-14-13-11-6-4-3-5-10(11)7-8-12(13)15(9)2;1-9-14-12-8-7-10-5-3-4-6-11(10)13(12)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;2*1-14-10-6-3-2-5-9(10)12-11(14)7-4-8-13-12;1-14-11-5-3-2-4-9(11)10-8-13-7-6-12(10)14;1-14-11-5-3-2-4-9(11)10-6-7-13-8-12(10)14/h3*2-11H,1H3;4-9H,1-3H3;6*3-8H,1-2H3;2*2-9H,1H3;4*2-8H,1H3
• InChIKey: UQFQOUILIYMONZ-UHFFFAOYSA-N
• XLogP: 54.00
• TPSA: 213.63 Ų
• H-Bond Acceptors: 28
• Heavy Atoms: 246
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3220.15
LogP ≤ 5	54.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylbenzo[e]benzimidazole;2,3-dimethylbenzo[e]benzimidazole;1,3-dimethylbenzo[e]indazole;2,3-dimethylbenzo[f]benzimidazole;1,3-dimethylbenzo[f]indazole;1,3-dimethylbenzo[g]indazole;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;7-methylbenzo[c]carbazole;10-methylphenothiazine;10-methylphenoxazine;bis(5-methylpyrido[3,2-b]indole);5-methylpyrido[4,3-b]indole;9-methylpyrido[3,4-b]indole;3,6,9-trimethylcarbazole?

The IUPAC name of 1,2-dimethylbenzo[e]benzimidazole;2,3-dimethylbenzo[e]benzimidazole;1,3-dimethylbenzo[e]indazole;2,3-dimethylbenzo[f]benzimidazole;1,3-dimethylbenzo[f]indazole;1,3-dimethylbenzo[g]indazole;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;7-methylbenzo[c]carbazole;10-methylphenothiazine;10-methylphenoxazine;bis(5-methylpyrido[3,2-b]indole);5-methylpyrido[4,3-b]indole;9-methylpyrido[3,4-b]indole;3,6,9-trimethylcarbazole (CID 161163534) is 1,2-dimethylbenzo[e]benzimidazole;2,3-dimethylbenzo[e]benzimidazole;1,3-dimethylbenzo[e]indazole;2,3-dimethylbenzo[f]benzimidazole;1,3-dimethylbenzo[f]indazole;1,3-dimethylbenzo[g]indazole;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;7-methylbenzo[c]carbazole;10-methylphenothiazine;10-methylphenoxazine;bis(5-methylpyrido[3,2-b]indole);5-methylpyrido[4,3-b]indole;9-methylpyrido[3,4-b]indole;3,6,9-trimethylcarbazole.

What is the SMILES notation for 1,2-dimethylbenzo[e]benzimidazole;2,3-dimethylbenzo[e]benzimidazole;1,3-dimethylbenzo[e]indazole;2,3-dimethylbenzo[f]benzimidazole;1,3-dimethylbenzo[f]indazole;1,3-dimethylbenzo[g]indazole;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;7-methylbenzo[c]carbazole;10-methylphenothiazine;10-methylphenoxazine;bis(5-methylpyrido[3,2-b]indole);5-methylpyrido[4,3-b]indole;9-methylpyrido[3,4-b]indole;3,6,9-trimethylcarbazole?

The canonical SMILES for 1,2-dimethylbenzo[e]benzimidazole;2,3-dimethylbenzo[e]benzimidazole;1,3-dimethylbenzo[e]indazole;2,3-dimethylbenzo[f]benzimidazole;1,3-dimethylbenzo[f]indazole;1,3-dimethylbenzo[g]indazole;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;7-methylbenzo[c]carbazole;10-methylphenothiazine;10-methylphenoxazine;bis(5-methylpyrido[3,2-b]indole);5-methylpyrido[4,3-b]indole;9-methylpyrido[3,4-b]indole;3,6,9-trimethylcarbazole is CN1c2ccccc2Oc2ccccc21.CN1c2ccccc2Sc2ccccc21.Cc1ccc2c(c1)c1cc(C)ccc1n2C.Cc1nc2c3ccccc3ccc2n1C.Cc1nc2cc3ccccc3cc2n1C.Cc1nc2ccc3ccccc3c2n1C.Cc1nn(C)c2c1ccc1ccccc12.Cc1nn(C)c2cc3ccccc3cc12.Cc1nn(C)c2ccc3ccccc3c12.Cn1c2ccccc2c2c3ccccc3ccc21.Cn1c2ccccc2c2cc3ccccc3cc21.Cn1c2ccccc2c2ccc3ccccc3c21.Cn1c2ccccc2c2ccncc21.Cn1c2ccccc2c2cnccc21.Cn1c2ccccc2c2ncccc21.Cn1c2ccccc2c2ncccc21.

What is the InChIKey of 1,2-dimethylbenzo[e]benzimidazole;2,3-dimethylbenzo[e]benzimidazole;1,3-dimethylbenzo[e]indazole;2,3-dimethylbenzo[f]benzimidazole;1,3-dimethylbenzo[f]indazole;1,3-dimethylbenzo[g]indazole;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;7-methylbenzo[c]carbazole;10-methylphenothiazine;10-methylphenoxazine;bis(5-methylpyrido[3,2-b]indole);5-methylpyrido[4,3-b]indole;9-methylpyrido[3,4-b]indole;3,6,9-trimethylcarbazole?

The InChIKey is UQFQOUILIYMONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C17H13N.C15H15N.6C13H12N2.C13H11NO.C13H11NS.4C12H10N2/c1-18-16-9-5-4-8-14(16)15-10-12-6-2-3-7-13(12)11-17(15)18;1-18-16-9-5-4-8-14(16)15-11-10-12-6-2-3-7-13(12)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;1-10-4-6-14-12(8-10)13-9-11(2)5-7-15(13)16(14)3;1-9-14-12-7-10-5-3-4-6-11(10)8-13(12)15(9)2;1-9-12-7-10-5-3-4-6-11(10)8-13(12)15(2)14-9;1-9-11-8-7-10-5-3-4-6-12(10)13(11)15(2)14-9;1-9-14-13-11-6-4-3-5-10(11)7-8-12(13)15(9)2;1-9-14-12-8-7-10-5-3-4-6-11(10)13(12)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;2*1-14-10-6-3-2-5-9(10)12-11(14)7-4-8-13-12;1-14-11-5-3-2-4-9(11)10-8-13-7-6-12(10)14;1-14-11-5-3-2-4-9(11)10-6-7-13-8-12(10)14/h3*2-11H,1H3;4-9H,1-3H3;6*3-8H,1-2H3;2*2-9H,1H3;4*2-8H,1H3.

What are the key properties of 1,2-dimethylbenzo[e]benzimidazole;2,3-dimethylbenzo[e]benzimidazole;1,3-dimethylbenzo[e]indazole;2,3-dimethylbenzo[f]benzimidazole;1,3-dimethylbenzo[f]indazole;1,3-dimethylbenzo[g]indazole;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;7-methylbenzo[c]carbazole;10-methylphenothiazine;10-methylphenoxazine;bis(5-methylpyrido[3,2-b]indole);5-methylpyrido[4,3-b]indole;9-methylpyrido[3,4-b]indole;3,6,9-trimethylcarbazole?

1,2-dimethylbenzo[e]benzimidazole;2,3-dimethylbenzo[e]benzimidazole;1,3-dimethylbenzo[e]indazole;2,3-dimethylbenzo[f]benzimidazole;1,3-dimethylbenzo[f]indazole;1,3-dimethylbenzo[g]indazole;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;7-methylbenzo[c]carbazole;10-methylphenothiazine;10-methylphenoxazine;bis(5-methylpyrido[3,2-b]indole);5-methylpyrido[4,3-b]indole;9-methylpyrido[3,4-b]indole;3,6,9-trimethylcarbazole has a molecular weight of 3220.15 g/mol, XLogP of 54.00, 0 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethylbenzo[e]benzimidazole;2,3-dimethylbenzo[e]benzimidazole;1,3-dimethylbenzo[e]indazole;2,3-dimethylbenzo[f]benzimidazole;1,3-dimethylbenzo[f]indazole;1,3-dimethylbenzo[g]indazole;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;7-methylbenzo[c]carbazole;10-methylphenothiazine;10-methylphenoxazine;bis(5-methylpyrido[3,2-b]indole);5-methylpyrido[4,3-b]indole;9-methylpyrido[3,4-b]indole;3,6,9-trimethylcarbazole is sourced from PubChem (CID 161163534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).