8'-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]

C53H32N4 — CID 142607174

About 8'-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]

8'-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] (PubChem CID 142607174) has the molecular formula C53H32N4 and a molecular weight of 724.87 g/mol. Its IUPAC name is 8'-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole].

Molecular Properties

• Compound Name: 8'-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
• PubChem CID: 142607174
• Molecular Formula: C53H32N4
• Molecular Weight: 724.87 g/mol
• Exact Mass: 724.26
• IUPAC Name: 8'-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
• SMILES: c1ccc(-n2c(-c3c4ccccc4c(-c4ccc5c(c4)nc4n5-c5ccccc5C45c4ccccc4-c4ccccc45)c4ccccc34)nc3ccccc32)cc1
• InChI: InChI=1S/C53H32N4/c1-2-16-34(17-3-1)56-47-29-15-13-27-44(47)54-51(56)50-39-22-6-4-20-37(39)49(38-21-5-7-23-40(38)50)33-30-31-48-45(32-33)55-52-53(43-26-12-14-28-46(43)57(48)52)41-24-10-8-18-35(41)36-19-9-11-25-42(36)53/h1-32H
• InChIKey: BENNRXCUJUNYRI-UHFFFAOYSA-N
• XLogP: 12.68
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	724.87
LogP ≤ 5	12.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8'-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?

The IUPAC name of 8'-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] (CID 142607174) is 8'-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole].

What is the SMILES notation for 8'-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?

The canonical SMILES for 8'-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] is c1ccc(-n2c(-c3c4ccccc4c(-c4ccc5c(c4)nc4n5-c5ccccc5C45c4ccccc4-c4ccccc45)c4ccccc34)nc3ccccc32)cc1.

What is the InChIKey of 8'-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?

The InChIKey is BENNRXCUJUNYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4/c1-2-16-34(17-3-1)56-47-29-15-13-27-44(47)54-51(56)50-39-22-6-4-20-37(39)49(38-21-5-7-23-40(38)50)33-30-31-48-45(32-33)55-52-53(43-26-12-14-28-46(43)57(48)52)41-24-10-8-18-35(41)36-19-9-11-25-42(36)53/h1-32H.

What are the key properties of 8'-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?

8'-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] has a molecular weight of 724.87 g/mol, XLogP of 12.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8'-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] is sourced from PubChem (CID 142607174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).