3'-carbazol-9-yl-10',14-diphenylspiro[10-thia-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] 14-oxide

C55H35N2OPS — CID 164736553

About 3'-carbazol-9-yl-10',14-diphenylspiro[10-thia-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] 14-oxide

3'-carbazol-9-yl-10',14-diphenylspiro[10-thia-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] 14-oxide (PubChem CID 164736553) has the molecular formula C55H35N2OPS and a molecular weight of 802.94 g/mol. Its IUPAC name is 3'-carbazol-9-yl-10',14-diphenylspiro[10-thia-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] 14-oxide.

Molecular Properties

• Compound Name: 3'-carbazol-9-yl-10',14-diphenylspiro[10-thia-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] 14-oxide
• PubChem CID: 164736553
• Molecular Formula: C55H35N2OPS
• Molecular Weight: 802.94 g/mol
• Exact Mass: 802.22
• IUPAC Name: 3'-carbazol-9-yl-10',14-diphenylspiro[10-thia-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] 14-oxide
• SMILES: O=P1(c2ccccc2)c2ccccc2C2(c3ccccc3N(c3ccccc3)c3cc(-n4c5ccccc5c5ccccc54)ccc32)c2cc3c(cc21)sc1ccccc13
• InChI: InChI=1S/C55H35N2OPS/c58-59(38-19-5-2-6-20-38)51-29-15-11-25-45(51)55(46-34-42-41-23-9-16-30-53(41)60-54(42)35-52(46)59)43-24-10-14-28-49(43)56(36-17-3-1-4-18-36)50-33-37(31-32-44(50)55)57-47-26-12-7-21-39(47)40-22-8-13-27-48(40)57/h1-35H
• InChIKey: ACNXGRKNLBPHQC-UHFFFAOYSA-N
• XLogP: 13.27
• TPSA: 25.24 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	802.94
LogP ≤ 5	13.27
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 3'-carbazol-9-yl-10',14-diphenylspiro[10-thia-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] 14-oxide?

The IUPAC name of 3'-carbazol-9-yl-10',14-diphenylspiro[10-thia-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] 14-oxide (CID 164736553) is 3'-carbazol-9-yl-10',14-diphenylspiro[10-thia-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] 14-oxide.

What is the SMILES notation for 3'-carbazol-9-yl-10',14-diphenylspiro[10-thia-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] 14-oxide?

The canonical SMILES for 3'-carbazol-9-yl-10',14-diphenylspiro[10-thia-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] 14-oxide is O=P1(c2ccccc2)c2ccccc2C2(c3ccccc3N(c3ccccc3)c3cc(-n4c5ccccc5c5ccccc54)ccc32)c2cc3c(cc21)sc1ccccc13.

What is the InChIKey of 3'-carbazol-9-yl-10',14-diphenylspiro[10-thia-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] 14-oxide?

The InChIKey is ACNXGRKNLBPHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N2OPS/c58-59(38-19-5-2-6-20-38)51-29-15-11-25-45(51)55(46-34-42-41-23-9-16-30-53(41)60-54(42)35-52(46)59)43-24-10-14-28-49(43)56(36-17-3-1-4-18-36)50-33-37(31-32-44(50)55)57-47-26-12-7-21-39(47)40-22-8-13-27-48(40)57/h1-35H.

What are the key properties of 3'-carbazol-9-yl-10',14-diphenylspiro[10-thia-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] 14-oxide?

3'-carbazol-9-yl-10',14-diphenylspiro[10-thia-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] 14-oxide has a molecular weight of 802.94 g/mol, XLogP of 13.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-carbazol-9-yl-10',14-diphenylspiro[10-thia-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] 14-oxide is sourced from PubChem (CID 164736553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).