2'-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-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]

C60H37N4P — CID 146519523

About 2'-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-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'-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-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 146519523) has the molecular formula C60H37N4P and a molecular weight of 844.96 g/mol. Its IUPAC name is 2'-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-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'-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-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: 146519523
• Molecular Formula: C60H37N4P
• Molecular Weight: 844.96 g/mol
• Exact Mass: 844.28
• IUPAC Name: 2'-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-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(P2c3ccccc3C3(c4ccccc4-n4c5ccccc5c5cccc3c54)c3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)ccc32)cc1
• InChI: InChI=1S/C60H37N4P/c1-2-19-45(20-3-1)65-54-28-13-10-24-49(54)60(48-23-9-12-27-53(48)64-52-26-11-8-21-46(52)47-22-14-25-50(60)56(47)64)51-37-44(33-34-55(51)65)59-62-57(42-31-29-38-15-4-6-17-40(38)35-42)61-58(63-59)43-32-30-39-16-5-7-18-41(39)36-43/h1-37H
• InChIKey: RMTQPIPSKUAKTN-UHFFFAOYSA-N
• XLogP: 13.04
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	844.96
LogP ≤ 5	13.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2'-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-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'-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-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 146519523) is 2'-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-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'-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-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'-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-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(P2c3ccccc3C3(c4ccccc4-n4c5ccccc5c5cccc3c54)c3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)ccc32)cc1.

What is the InChIKey of 2'-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-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 RMTQPIPSKUAKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N4P/c1-2-19-45(20-3-1)65-54-28-13-10-24-49(54)60(48-23-9-12-27-53(48)64-52-26-11-8-21-46(52)47-22-14-25-50(60)56(47)64)51-37-44(33-34-55(51)65)59-62-57(42-31-29-38-15-4-6-17-40(38)35-42)61-58(63-59)43-32-30-39-16-5-7-18-41(39)36-43/h1-37H.

What are the key properties of 2'-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-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'-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-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 844.96 g/mol, XLogP of 13.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-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 146519523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).