17-di(spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-yl)phosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]

C93H54N3OP — CID 126682616

About 17-di(spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-yl)phosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]

17-di(spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-yl)phosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene] (PubChem CID 126682616) has the molecular formula C93H54N3OP and a molecular weight of 1260.45 g/mol. Its IUPAC name is 17-di(spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-yl)phosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene].

Molecular Properties

• Compound Name: 17-di(spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-yl)phosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]
• PubChem CID: 126682616
• Molecular Formula: C93H54N3OP
• Molecular Weight: 1260.45 g/mol
• Exact Mass: 1259.40
• IUPAC Name: 17-di(spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-yl)phosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]
• SMILES: O=P(c1ccc2c(c1)-n1c3ccccc3c3cccc(c31)C21c2ccccc2-c2ccccc21)(c1ccc2c(c1)-n1c3ccccc3c3cccc(c31)C21c2ccccc2-c2ccccc21)c1ccc2c(c1)-n1c3ccccc3c3cccc(c31)C21c2ccccc2-c2ccccc21
• InChI: InChI=1S/C93H54N3OP/c97-98(55-46-49-76-85(52-55)94-82-43-16-7-28-64(82)67-31-19-40-79(88(67)94)91(76)70-34-10-1-22-58(70)59-23-2-11-35-71(59)91,56-47-50-77-86(53-56)95-83-44-17-8-29-65(83)68-32-20-41-80(89(68)95)92(77)72-36-12-3-24-60(72)61-25-4-13-37-73(61)92)57-48-51-78-87(54-57)96-84-45-18-9-30-66(84)69-33-21-42-81(90(69)96)93(78)74-38-14-5-26-62(74)63-27-6-15-39-75(63)93/h1-54H
• InChIKey: AYMCQXJHHUBYEJ-UHFFFAOYSA-N
• XLogP: 20.65
• TPSA: 31.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1260.45
LogP ≤ 5	20.65
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 17-di(spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-yl)phosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]?

The IUPAC name of 17-di(spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-yl)phosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene] (CID 126682616) is 17-di(spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-yl)phosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene].

What is the SMILES notation for 17-di(spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-yl)phosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]?

The canonical SMILES for 17-di(spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-yl)phosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene] is O=P(c1ccc2c(c1)-n1c3ccccc3c3cccc(c31)C21c2ccccc2-c2ccccc21)(c1ccc2c(c1)-n1c3ccccc3c3cccc(c31)C21c2ccccc2-c2ccccc21)c1ccc2c(c1)-n1c3ccccc3c3cccc(c31)C21c2ccccc2-c2ccccc21.

What is the InChIKey of 17-di(spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-yl)phosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]?

The InChIKey is AYMCQXJHHUBYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H54N3OP/c97-98(55-46-49-76-85(52-55)94-82-43-16-7-28-64(82)67-31-19-40-79(88(67)94)91(76)70-34-10-1-22-58(70)59-23-2-11-35-71(59)91,56-47-50-77-86(53-56)95-83-44-17-8-29-65(83)68-32-20-41-80(89(68)95)92(77)72-36-12-3-24-60(72)61-25-4-13-37-73(61)92)57-48-51-78-87(54-57)96-84-45-18-9-30-66(84)69-33-21-42-81(90(69)96)93(78)74-38-14-5-26-62(74)63-27-6-15-39-75(63)93/h1-54H.

What are the key properties of 17-di(spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-yl)phosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]?

17-di(spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-yl)phosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene] has a molecular weight of 1260.45 g/mol, XLogP of 20.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 17-di(spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-yl)phosphorylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene] is sourced from PubChem (CID 126682616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).