2'-(3,5-diphenylphenyl)-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine]

C55H36NP — CID 146519706

About 2'-(3,5-diphenylphenyl)-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine]

2'-(3,5-diphenylphenyl)-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] (PubChem CID 146519706) has the molecular formula C55H36NP and a molecular weight of 741.87 g/mol. Its IUPAC name is 2'-(3,5-diphenylphenyl)-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine].

Molecular Properties

• Compound Name: 2'-(3,5-diphenylphenyl)-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine]
• PubChem CID: 146519706
• Molecular Formula: C55H36NP
• Molecular Weight: 741.87 g/mol
• Exact Mass: 741.26
• IUPAC Name: 2'-(3,5-diphenylphenyl)-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine]
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)C3(c5ccccc5-n5c6ccccc6c6cccc3c65)c3ccccc3P4c3ccccc3)c2)cc1
• InChI: InChI=1S/C55H36NP/c1-4-17-37(18-5-1)40-33-41(38-19-6-2-7-20-38)35-42(34-40)39-31-32-53-49(36-39)55(47-26-12-15-30-52(47)57(53)43-21-8-3-9-22-43)46-25-11-14-29-51(46)56-50-28-13-10-23-44(50)45-24-16-27-48(55)54(45)56/h1-36H
• InChIKey: RPQVKRPHEGPRBY-UHFFFAOYSA-N
• XLogP: 12.55
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.87
LogP ≤ 5	12.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2'-(3,5-diphenylphenyl)-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine]?

The IUPAC name of 2'-(3,5-diphenylphenyl)-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] (CID 146519706) is 2'-(3,5-diphenylphenyl)-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine].

What is the SMILES notation for 2'-(3,5-diphenylphenyl)-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine]?

The canonical SMILES for 2'-(3,5-diphenylphenyl)-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)C3(c5ccccc5-n5c6ccccc6c6cccc3c65)c3ccccc3P4c3ccccc3)c2)cc1.

What is the InChIKey of 2'-(3,5-diphenylphenyl)-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine]?

The InChIKey is RPQVKRPHEGPRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36NP/c1-4-17-37(18-5-1)40-33-41(38-19-6-2-7-20-38)35-42(34-40)39-31-32-53-49(36-39)55(47-26-12-15-30-52(47)57(53)43-21-8-3-9-22-43)46-25-11-14-29-51(46)56-50-28-13-10-23-44(50)45-24-16-27-48(55)54(45)56/h1-36H.

What are the key properties of 2'-(3,5-diphenylphenyl)-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine]?

2'-(3,5-diphenylphenyl)-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] has a molecular weight of 741.87 g/mol, XLogP of 12.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-(3,5-diphenylphenyl)-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] is sourced from PubChem (CID 146519706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).