10'-phenyl-10-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]spiro[14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine]

C56H37N4O+ — CID 140853283

About 10'-phenyl-10-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]spiro[14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine]

10'-phenyl-10-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]spiro[14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] (PubChem CID 140853283) has the molecular formula C56H37N4O+ and a molecular weight of 781.94 g/mol. Its IUPAC name is 10'-phenyl-10-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]spiro[14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine].

Molecular Properties

• Compound Name: 10'-phenyl-10-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]spiro[14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine]
• PubChem CID: 140853283
• Molecular Formula: C56H37N4O+
• Molecular Weight: 781.94 g/mol
• Exact Mass: 781.30
• IUPAC Name: 10'-phenyl-10-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]spiro[14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine]
• SMILES: c1ccc(N2c3ccccc3C3(c4ccccc4Oc4cc5c(cc43)c3ccccc3n5-c3ccc(-c4[nH]c5ccccc5[n+]4-c4ccccc4)cc3)c3ccccc32)cc1
• InChI: InChI=1S/C56H36N4O/c1-3-17-38(18-4-1)59-49-27-13-8-22-43(49)56(44-23-9-14-28-50(44)59)45-24-10-16-30-53(45)61-54-36-52-42(35-46(54)56)41-21-7-12-26-48(41)58(52)40-33-31-37(32-34-40)55-57-47-25-11-15-29-51(47)60(55)39-19-5-2-6-20-39/h1-36H/p+1
• InChIKey: MBWOSLMLPBRPHW-UHFFFAOYSA-O
• XLogP: 13.48
• TPSA: 37.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	781.94
LogP ≤ 5	13.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10'-phenyl-10-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]spiro[14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine]?

The IUPAC name of 10'-phenyl-10-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]spiro[14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] (CID 140853283) is 10'-phenyl-10-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]spiro[14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine].

What is the SMILES notation for 10'-phenyl-10-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]spiro[14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine]?

The canonical SMILES for 10'-phenyl-10-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]spiro[14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] is c1ccc(N2c3ccccc3C3(c4ccccc4Oc4cc5c(cc43)c3ccccc3n5-c3ccc(-c4[nH]c5ccccc5[n+]4-c4ccccc4)cc3)c3ccccc32)cc1.

What is the InChIKey of 10'-phenyl-10-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]spiro[14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine]?

The InChIKey is MBWOSLMLPBRPHW-UHFFFAOYSA-O. The full InChI is InChI=1S/C56H36N4O/c1-3-17-38(18-4-1)59-49-27-13-8-22-43(49)56(44-23-9-14-28-50(44)59)45-24-10-16-30-53(45)61-54-36-52-42(35-46(54)56)41-21-7-12-26-48(41)58(52)40-33-31-37(32-34-40)55-57-47-25-11-15-29-51(47)60(55)39-19-5-2-6-20-39/h1-36H/p+1.

What are the key properties of 10'-phenyl-10-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]spiro[14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine]?

10'-phenyl-10-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]spiro[14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] has a molecular weight of 781.94 g/mol, XLogP of 13.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10'-phenyl-10-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]spiro[14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] is sourced from PubChem (CID 140853283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).