2'-(9,9-dimethyl-3,4-dihydroacridin-10-yl)spiro[1λ5-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] 1-oxide

C46H34NOP — CID 163959695

About 2'-(9,9-dimethyl-3,4-dihydroacridin-10-yl)spiro[1λ5-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] 1-oxide

2'-(9,9-dimethyl-3,4-dihydroacridin-10-yl)spiro[1λ5-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] 1-oxide (PubChem CID 163959695) has the molecular formula C46H34NOP and a molecular weight of 647.76 g/mol. Its IUPAC name is 2'-(9,9-dimethyl-3,4-dihydroacridin-10-yl)spiro[1λ5-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] 1-oxide.

Molecular Properties

• Compound Name: 2'-(9,9-dimethyl-3,4-dihydroacridin-10-yl)spiro[1λ5-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] 1-oxide
• PubChem CID: 163959695
• Molecular Formula: C46H34NOP
• Molecular Weight: 647.76 g/mol
• Exact Mass: 647.24
• IUPAC Name: 2'-(9,9-dimethyl-3,4-dihydroacridin-10-yl)spiro[1λ5-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] 1-oxide
• SMILES: CC1(C)C2=C(CCC=C2)N(c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3P3(=O)c4ccccc4-c4cccc2c43)c2ccccc21
• InChI: InChI=1S/C46H34NOP/c1-45(2)35-18-6-9-22-40(35)47(41-23-10-7-19-36(41)45)29-26-27-31-30-14-3-5-17-34(30)46(39(31)28-29)37-20-8-12-25-43(37)49(48)42-24-11-4-15-32(42)33-16-13-21-38(46)44(33)49/h3-9,11-22,24-28H,10,23H2,1-2H3
• InChIKey: SGKKCUXRFMHCQF-UHFFFAOYSA-N
• XLogP: 10.02
• TPSA: 20.31 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	647.76
LogP ≤ 5	10.02
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'-(9,9-dimethyl-3,4-dihydroacridin-10-yl)spiro[1λ5-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] 1-oxide?

The IUPAC name of 2'-(9,9-dimethyl-3,4-dihydroacridin-10-yl)spiro[1λ5-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] 1-oxide (CID 163959695) is 2'-(9,9-dimethyl-3,4-dihydroacridin-10-yl)spiro[1λ5-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] 1-oxide.

What is the SMILES notation for 2'-(9,9-dimethyl-3,4-dihydroacridin-10-yl)spiro[1λ5-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] 1-oxide?

The canonical SMILES for 2'-(9,9-dimethyl-3,4-dihydroacridin-10-yl)spiro[1λ5-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] 1-oxide is CC1(C)C2=C(CCC=C2)N(c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3P3(=O)c4ccccc4-c4cccc2c43)c2ccccc21.

What is the InChIKey of 2'-(9,9-dimethyl-3,4-dihydroacridin-10-yl)spiro[1λ5-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] 1-oxide?

The InChIKey is SGKKCUXRFMHCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34NOP/c1-45(2)35-18-6-9-22-40(35)47(41-23-10-7-19-36(41)45)29-26-27-31-30-14-3-5-17-34(30)46(39(31)28-29)37-20-8-12-25-43(37)49(48)42-24-11-4-15-32(42)33-16-13-21-38(46)44(33)49/h3-9,11-22,24-28H,10,23H2,1-2H3.

What are the key properties of 2'-(9,9-dimethyl-3,4-dihydroacridin-10-yl)spiro[1λ5-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] 1-oxide?

2'-(9,9-dimethyl-3,4-dihydroacridin-10-yl)spiro[1λ5-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] 1-oxide has a molecular weight of 647.76 g/mol, XLogP of 10.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-(9,9-dimethyl-3,4-dihydroacridin-10-yl)spiro[1λ5-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] 1-oxide is sourced from PubChem (CID 163959695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).