[7-(11-diphenylphosphinoselenoyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-17-yl)quinolin-3-yl]-diphenyl-selanylidene-λ5-phosphane

C52H35N3P2Se2 — CID 154586491

About [7-(11-diphenylphosphinoselenoyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-17-yl)quinolin-3-yl]-diphenyl-selanylidene-λ5-phosphane

[7-(11-diphenylphosphinoselenoyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-17-yl)quinolin-3-yl]-diphenyl-selanylidene-λ5-phosphane (PubChem CID 154586491) has the molecular formula C52H35N3P2Se2 and a molecular weight of 921.74 g/mol. Its IUPAC name is [7-(11-diphenylphosphinoselenoyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-17-yl)quinolin-3-yl]-diphenyl-selanylidene-λ5-phosphane.

Molecular Properties

• Compound Name: [7-(11-diphenylphosphinoselenoyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-17-yl)quinolin-3-yl]-diphenyl-selanylidene-λ5-phosphane
• PubChem CID: 154586491
• Molecular Formula: C52H35N3P2Se2
• Molecular Weight: 921.74 g/mol
• Exact Mass: 923.06
• IUPAC Name: [7-(11-diphenylphosphinoselenoyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-17-yl)quinolin-3-yl]-diphenyl-selanylidene-λ5-phosphane
• SMILES: [Se]=P(c1ccccc1)(c1ccccc1)c1cnc2cc(-c3ccc4nc5c6ccccc6c6ccc(P(=[Se])(c7ccccc7)c7ccccc7)cc6n5c4c3)ccc2c1
• InChI: InChI=1S/C52H35N3P2Se2/c58-56(39-15-5-1-6-16-39,40-17-7-2-8-18-40)43-28-29-46-45-23-13-14-24-47(45)52-54-48-30-27-37(33-51(48)55(52)50(46)34-43)36-25-26-38-31-44(35-53-49(38)32-36)57(59,41-19-9-3-10-20-41)42-21-11-4-12-22-42/h1-35H
• InChIKey: KZRXBCLLHMYXFS-UHFFFAOYSA-N
• XLogP: 9.76
• TPSA: 30.19 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	921.74
LogP ≤ 5	9.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [7-(11-diphenylphosphinoselenoyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-17-yl)quinolin-3-yl]-diphenyl-selanylidene-λ5-phosphane?

The IUPAC name of [7-(11-diphenylphosphinoselenoyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-17-yl)quinolin-3-yl]-diphenyl-selanylidene-λ5-phosphane (CID 154586491) is [7-(11-diphenylphosphinoselenoyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-17-yl)quinolin-3-yl]-diphenyl-selanylidene-λ5-phosphane.

What is the SMILES notation for [7-(11-diphenylphosphinoselenoyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-17-yl)quinolin-3-yl]-diphenyl-selanylidene-λ5-phosphane?

The canonical SMILES for [7-(11-diphenylphosphinoselenoyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-17-yl)quinolin-3-yl]-diphenyl-selanylidene-λ5-phosphane is [Se]=P(c1ccccc1)(c1ccccc1)c1cnc2cc(-c3ccc4nc5c6ccccc6c6ccc(P(=[Se])(c7ccccc7)c7ccccc7)cc6n5c4c3)ccc2c1.

What is the InChIKey of [7-(11-diphenylphosphinoselenoyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-17-yl)quinolin-3-yl]-diphenyl-selanylidene-λ5-phosphane?

The InChIKey is KZRXBCLLHMYXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3P2Se2/c58-56(39-15-5-1-6-16-39,40-17-7-2-8-18-40)43-28-29-46-45-23-13-14-24-47(45)52-54-48-30-27-37(33-51(48)55(52)50(46)34-43)36-25-26-38-31-44(35-53-49(38)32-36)57(59,41-19-9-3-10-20-41)42-21-11-4-12-22-42/h1-35H.

What are the key properties of [7-(11-diphenylphosphinoselenoyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-17-yl)quinolin-3-yl]-diphenyl-selanylidene-λ5-phosphane?

[7-(11-diphenylphosphinoselenoyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-17-yl)quinolin-3-yl]-diphenyl-selanylidene-λ5-phosphane has a molecular weight of 921.74 g/mol, XLogP of 9.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [7-(11-diphenylphosphinoselenoyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-17-yl)quinolin-3-yl]-diphenyl-selanylidene-λ5-phosphane is sourced from PubChem (CID 154586491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).