methane;2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole

C80H55N11 — CID 159554746

About methane;2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole

methane;2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole (PubChem CID 159554746) has the molecular formula C80H55N11 and a molecular weight of 1170.40 g/mol. Its IUPAC name is methane;2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole.

Molecular Properties

• Compound Name: methane;2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole
• PubChem CID: 159554746
• Molecular Formula: C80H55N11
• Molecular Weight: 1170.40 g/mol
• Exact Mass: 1169.46
• IUPAC Name: methane;2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole
• SMILES: C.C.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)n4c6ccccc6nc4n5-c4cnc5ccccc5n4)ccc32)cc1.c1ccc2nc(-n3c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4n4c5ccccc5nc34)cnc2c1
• InChI: InChI=1S/C39H24N6.C39H23N5.2CH4/c1-2-10-27(11-3-1)43-33-16-8-4-12-28(33)29-22-25(18-20-34(29)43)26-19-21-36-37(23-26)44-35-17-9-7-15-32(35)42-39(44)45(36)38-24-40-30-13-5-6-14-31(30)41-38;1-2-11-28-26(9-1)27-10-3-4-12-29(27)31-21-24(17-19-30(28)31)25-18-20-36-37(22-25)43-35-16-8-7-15-34(35)42-39(43)44(36)38-23-40-32-13-5-6-14-33(32)41-38;;/h1-24H;1-23H;2*1H4
• InChIKey: MFVNFYOZYZTKEE-UHFFFAOYSA-N
• XLogP: 19.91
• TPSA: 100.95 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1170.40
LogP ≤ 5	19.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methane;2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole?

The IUPAC name of methane;2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole (CID 159554746) is methane;2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole.

What is the SMILES notation for methane;2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole?

The canonical SMILES for methane;2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole is C.C.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)n4c6ccccc6nc4n5-c4cnc5ccccc5n4)ccc32)cc1.c1ccc2nc(-n3c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4n4c5ccccc5nc34)cnc2c1.

What is the InChIKey of methane;2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole?

The InChIKey is MFVNFYOZYZTKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N6.C39H23N5.2CH4/c1-2-10-27(11-3-1)43-33-16-8-4-12-28(33)29-22-25(18-20-34(29)43)26-19-21-36-37(23-26)44-35-17-9-7-15-32(35)42-39(44)45(36)38-24-40-30-13-5-6-14-31(30)41-38;1-2-11-28-26(9-1)27-10-3-4-12-29(27)31-21-24(17-19-30(28)31)25-18-20-36-37(22-25)43-35-16-8-7-15-34(35)42-39(43)44(36)38-23-40-32-13-5-6-14-33(32)41-38;;/h1-24H;1-23H;2*1H4.

What are the key properties of methane;2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole?

methane;2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole has a molecular weight of 1170.40 g/mol, XLogP of 19.91, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for methane;2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 159554746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).