2'-naphthalen-1-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] 5'-oxide

C47H30NOP — CID 135140069

About 2'-naphthalen-1-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] 5'-oxide

2'-naphthalen-1-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] 5'-oxide (PubChem CID 135140069) has the molecular formula C47H30NOP and a molecular weight of 655.74 g/mol. Its IUPAC name is 2'-naphthalen-1-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] 5'-oxide.

Molecular Properties

• Compound Name: 2'-naphthalen-1-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] 5'-oxide
• PubChem CID: 135140069
• Molecular Formula: C47H30NOP
• Molecular Weight: 655.74 g/mol
• Exact Mass: 655.21
• IUPAC Name: 2'-naphthalen-1-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] 5'-oxide
• SMILES: O=P1(c2ccccc2)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cc(-c3cccc4ccccc34)ccc21
• InChI: InChI=1S/C47H30NOP/c49-50(33-16-2-1-3-17-33)44-27-11-8-23-39(44)47(41-30-32(28-29-45(41)50)35-20-12-15-31-14-4-5-18-34(31)35)38-22-7-10-26-43(38)48-42-25-9-6-19-36(42)37-21-13-24-40(47)46(37)48/h1-30H
• InChIKey: AINDHCNIYYUYPQ-UHFFFAOYSA-N
• XLogP: 10.25
• TPSA: 22.00 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	655.74
LogP ≤ 5	10.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2'-naphthalen-1-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] 5'-oxide?

The IUPAC name of 2'-naphthalen-1-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] 5'-oxide (CID 135140069) is 2'-naphthalen-1-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] 5'-oxide.

What is the SMILES notation for 2'-naphthalen-1-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] 5'-oxide?

The canonical SMILES for 2'-naphthalen-1-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] 5'-oxide is O=P1(c2ccccc2)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cc(-c3cccc4ccccc34)ccc21.

What is the InChIKey of 2'-naphthalen-1-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] 5'-oxide?

The InChIKey is AINDHCNIYYUYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30NOP/c49-50(33-16-2-1-3-17-33)44-27-11-8-23-39(44)47(41-30-32(28-29-45(41)50)35-20-12-15-31-14-4-5-18-34(31)35)38-22-7-10-26-43(38)48-42-25-9-6-19-36(42)37-21-13-24-40(47)46(37)48/h1-30H.

What are the key properties of 2'-naphthalen-1-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] 5'-oxide?

2'-naphthalen-1-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] 5'-oxide has a molecular weight of 655.74 g/mol, XLogP of 10.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-naphthalen-1-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] 5'-oxide is sourced from PubChem (CID 135140069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).