N-(9,9-dimethylfluoren-2-yl)-5'-oxo-5'-phenyl-N-(2-phenylphenyl)spiro[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'-amine

C64H45N2OP — CID 135140103

About N-(9,9-dimethylfluoren-2-yl)-5'-oxo-5'-phenyl-N-(2-phenylphenyl)spiro[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'-amine

N-(9,9-dimethylfluoren-2-yl)-5'-oxo-5'-phenyl-N-(2-phenylphenyl)spiro[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'-amine (PubChem CID 135140103) has the molecular formula C64H45N2OP and a molecular weight of 889.05 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-5'-oxo-5'-phenyl-N-(2-phenylphenyl)spiro[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'-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-5'-oxo-5'-phenyl-N-(2-phenylphenyl)spiro[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'-amine
• PubChem CID: 135140103
• Molecular Formula: C64H45N2OP
• Molecular Weight: 889.05 g/mol
• Exact Mass: 888.33
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-5'-oxo-5'-phenyl-N-(2-phenylphenyl)spiro[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'-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-n5c6ccccc6c6cccc3c65)c3ccccc3P4(=O)c3ccccc3)c3ccccc3-c3ccccc3)cc21
• InChI: InChI=1S/C64H45N2OP/c1-63(2)51-28-12-9-25-47(51)48-38-36-43(40-55(48)63)65(57-32-15-10-24-46(57)42-20-5-3-6-21-42)44-37-39-61-56(41-44)64(53-30-14-18-35-60(53)68(61,67)45-22-7-4-8-23-45)52-29-13-17-34-59(52)66-58-33-16-11-26-49(58)50-27-19-31-54(64)62(50)66/h3-41H,1-2H3
• InChIKey: DHJRUCQYWXPSAR-UHFFFAOYSA-N
• XLogP: 14.88
• TPSA: 25.24 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	889.05
LogP ≤ 5	14.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-5'-oxo-5'-phenyl-N-(2-phenylphenyl)spiro[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'-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-5'-oxo-5'-phenyl-N-(2-phenylphenyl)spiro[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'-amine (CID 135140103) is N-(9,9-dimethylfluoren-2-yl)-5'-oxo-5'-phenyl-N-(2-phenylphenyl)spiro[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'-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-5'-oxo-5'-phenyl-N-(2-phenylphenyl)spiro[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'-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-5'-oxo-5'-phenyl-N-(2-phenylphenyl)spiro[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'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-n5c6ccccc6c6cccc3c65)c3ccccc3P4(=O)c3ccccc3)c3ccccc3-c3ccccc3)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-5'-oxo-5'-phenyl-N-(2-phenylphenyl)spiro[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'-amine?

The InChIKey is DHJRUCQYWXPSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45N2OP/c1-63(2)51-28-12-9-25-47(51)48-38-36-43(40-55(48)63)65(57-32-15-10-24-46(57)42-20-5-3-6-21-42)44-37-39-61-56(41-44)64(53-30-14-18-35-60(53)68(61,67)45-22-7-4-8-23-45)52-29-13-17-34-59(52)66-58-33-16-11-26-49(58)50-27-19-31-54(64)62(50)66/h3-41H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-5'-oxo-5'-phenyl-N-(2-phenylphenyl)spiro[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'-amine?

N-(9,9-dimethylfluoren-2-yl)-5'-oxo-5'-phenyl-N-(2-phenylphenyl)spiro[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'-amine has a molecular weight of 889.05 g/mol, XLogP of 14.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-5'-oxo-5'-phenyl-N-(2-phenylphenyl)spiro[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'-amine is sourced from PubChem (CID 135140103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).