3-(14-oxo-10',14-diphenylspiro[10-oxa-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]-3'-yl)-N,N-diphenylaniline;14-oxo-N,N,10',14-tetraphenylspiro[10-oxa-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]-3'-amine;3'-phenothiazin-10-yl-10',14-diphenylspiro[10-oxa-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'-phenoxazin-10-yl-10',14-diphenylspiro[10-oxa-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

C226H148N8O9P4S — CID 164964191

About 3-(14-oxo-10',14-diphenylspiro[10-oxa-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]-3'-yl)-N,N-diphenylaniline;14-oxo-N,N,10',14-tetraphenylspiro[10-oxa-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]-3'-amine;3'-phenothiazin-10-yl-10',14-diphenylspiro[10-oxa-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'-phenoxazin-10-yl-10',14-diphenylspiro[10-oxa-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-(14-oxo-10',14-diphenylspiro[10-oxa-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]-3'-yl)-N,N-diphenylaniline;14-oxo-N,N,10',14-tetraphenylspiro[10-oxa-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]-3'-amine;3'-phenothiazin-10-yl-10',14-diphenylspiro[10-oxa-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'-phenoxazin-10-yl-10',14-diphenylspiro[10-oxa-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 164964191) has the molecular formula C226H148N8O9P4S and a molecular weight of 3275.68 g/mol. Its IUPAC name is 3-(14-oxo-10',14-diphenylspiro[10-oxa-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]-3'-yl)-N,N-diphenylaniline;14-oxo-N,N,10',14-tetraphenylspiro[10-oxa-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]-3'-amine;3'-phenothiazin-10-yl-10',14-diphenylspiro[10-oxa-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'-phenoxazin-10-yl-10',14-diphenylspiro[10-oxa-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-(14-oxo-10',14-diphenylspiro[10-oxa-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]-3'-yl)-N,N-diphenylaniline;14-oxo-N,N,10',14-tetraphenylspiro[10-oxa-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]-3'-amine;3'-phenothiazin-10-yl-10',14-diphenylspiro[10-oxa-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'-phenoxazin-10-yl-10',14-diphenylspiro[10-oxa-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: 164964191
• Molecular Formula: C226H148N8O9P4S
• Molecular Weight: 3275.68 g/mol
• Exact Mass: 3273.00
• IUPAC Name: 3-(14-oxo-10',14-diphenylspiro[10-oxa-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]-3'-yl)-N,N-diphenylaniline;14-oxo-N,N,10',14-tetraphenylspiro[10-oxa-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]-3'-amine;3'-phenothiazin-10-yl-10',14-diphenylspiro[10-oxa-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'-phenoxazin-10-yl-10',14-diphenylspiro[10-oxa-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(-c4cccc(N(c5ccccc5)c5ccccc5)c4)ccc32)c2cc3c(cc21)oc1ccccc13.O=P1(c2ccccc2)c2ccccc2C2(c3ccccc3N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)ccc32)c2cc3c(cc21)oc1ccccc13.O=P1(c2ccccc2)c2ccccc2C2(c3ccccc3N(c3ccccc3)c3cc(N4c5ccccc5Oc5ccccc54)ccc32)c2cc3c(cc21)oc1ccccc13.O=P1(c2ccccc2)c2ccccc2C2(c3ccccc3N(c3ccccc3)c3cc(N4c5ccccc5Sc5ccccc54)ccc32)c2cc3c(cc21)oc1ccccc13
• InChI: InChI=1S/C61H41N2O2P.C55H35N2O3P.C55H35N2O2PS.C55H37N2O2P/c64-66(48-28-11-4-12-29-48)59-35-18-15-32-53(59)61(54-40-50-49-30-13-17-34-57(49)65-58(50)41-60(54)66)51-31-14-16-33-55(51)63(46-25-9-3-10-26-46)56-39-43(36-37-52(56)61)42-20-19-27-47(38-42)62(44-21-5-1-6-22-44)45-23-7-2-8-24-45;58-61(38-19-5-2-6-20-38)53-30-16-9-23-43(53)55(44-34-40-39-21-7-13-27-49(39)59-52(40)35-54(44)61)41-22-8-10-24-45(41)56(36-17-3-1-4-18-36)48-33-37(31-32-42(48)55)57-46-25-11-14-28-50(46)60-51-29-15-12-26-47(51)57;58-60(38-19-5-2-6-20-38)51-28-14-9-23-43(51)55(44-34-40-39-21-7-13-27-49(39)59-50(40)35-52(44)60)41-22-8-10-24-45(41)56(36-17-3-1-4-18-36)48-33-37(31-32-42(48)55)57-46-25-11-15-29-53(46)61-54-30-16-12-26-47(54)57;58-60(42-25-11-4-12-26-42)53-32-18-15-29-47(53)55(48-36-44-43-27-13-17-31-51(43)59-52(44)37-54(48)60)45-28-14-16-30-49(45)57(40-23-9-3-10-24-40)50-35-41(33-34-46(50)55)56(38-19-5-1-6-20-38)39-21-7-2-8-22-39/h1-41H;2*1-35H;1-37H
• InChIKey: CGDVSNDXXORPFY-UHFFFAOYSA-N
• XLogP: 54.94
• TPSA: 155.99 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 248
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3275.68
LogP ≤ 5	54.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(14-oxo-10',14-diphenylspiro[10-oxa-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]-3'-yl)-N,N-diphenylaniline;14-oxo-N,N,10',14-tetraphenylspiro[10-oxa-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]-3'-amine;3'-phenothiazin-10-yl-10',14-diphenylspiro[10-oxa-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'-phenoxazin-10-yl-10',14-diphenylspiro[10-oxa-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-(14-oxo-10',14-diphenylspiro[10-oxa-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]-3'-yl)-N,N-diphenylaniline;14-oxo-N,N,10',14-tetraphenylspiro[10-oxa-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]-3'-amine;3'-phenothiazin-10-yl-10',14-diphenylspiro[10-oxa-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'-phenoxazin-10-yl-10',14-diphenylspiro[10-oxa-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 164964191) is 3-(14-oxo-10',14-diphenylspiro[10-oxa-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]-3'-yl)-N,N-diphenylaniline;14-oxo-N,N,10',14-tetraphenylspiro[10-oxa-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]-3'-amine;3'-phenothiazin-10-yl-10',14-diphenylspiro[10-oxa-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'-phenoxazin-10-yl-10',14-diphenylspiro[10-oxa-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-(14-oxo-10',14-diphenylspiro[10-oxa-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]-3'-yl)-N,N-diphenylaniline;14-oxo-N,N,10',14-tetraphenylspiro[10-oxa-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]-3'-amine;3'-phenothiazin-10-yl-10',14-diphenylspiro[10-oxa-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'-phenoxazin-10-yl-10',14-diphenylspiro[10-oxa-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-(14-oxo-10',14-diphenylspiro[10-oxa-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]-3'-yl)-N,N-diphenylaniline;14-oxo-N,N,10',14-tetraphenylspiro[10-oxa-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]-3'-amine;3'-phenothiazin-10-yl-10',14-diphenylspiro[10-oxa-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'-phenoxazin-10-yl-10',14-diphenylspiro[10-oxa-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(-c4cccc(N(c5ccccc5)c5ccccc5)c4)ccc32)c2cc3c(cc21)oc1ccccc13.O=P1(c2ccccc2)c2ccccc2C2(c3ccccc3N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)ccc32)c2cc3c(cc21)oc1ccccc13.O=P1(c2ccccc2)c2ccccc2C2(c3ccccc3N(c3ccccc3)c3cc(N4c5ccccc5Oc5ccccc54)ccc32)c2cc3c(cc21)oc1ccccc13.O=P1(c2ccccc2)c2ccccc2C2(c3ccccc3N(c3ccccc3)c3cc(N4c5ccccc5Sc5ccccc54)ccc32)c2cc3c(cc21)oc1ccccc13.

What is the InChIKey of 3-(14-oxo-10',14-diphenylspiro[10-oxa-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]-3'-yl)-N,N-diphenylaniline;14-oxo-N,N,10',14-tetraphenylspiro[10-oxa-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]-3'-amine;3'-phenothiazin-10-yl-10',14-diphenylspiro[10-oxa-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'-phenoxazin-10-yl-10',14-diphenylspiro[10-oxa-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 CGDVSNDXXORPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N2O2P.C55H35N2O3P.C55H35N2O2PS.C55H37N2O2P/c64-66(48-28-11-4-12-29-48)59-35-18-15-32-53(59)61(54-40-50-49-30-13-17-34-57(49)65-58(50)41-60(54)66)51-31-14-16-33-55(51)63(46-25-9-3-10-26-46)56-39-43(36-37-52(56)61)42-20-19-27-47(38-42)62(44-21-5-1-6-22-44)45-23-7-2-8-24-45;58-61(38-19-5-2-6-20-38)53-30-16-9-23-43(53)55(44-34-40-39-21-7-13-27-49(39)59-52(40)35-54(44)61)41-22-8-10-24-45(41)56(36-17-3-1-4-18-36)48-33-37(31-32-42(48)55)57-46-25-11-14-28-50(46)60-51-29-15-12-26-47(51)57;58-60(38-19-5-2-6-20-38)51-28-14-9-23-43(51)55(44-34-40-39-21-7-13-27-49(39)59-50(40)35-52(44)60)41-22-8-10-24-45(41)56(36-17-3-1-4-18-36)48-33-37(31-32-42(48)55)57-46-25-11-15-29-53(46)61-54-30-16-12-26-47(54)57;58-60(42-25-11-4-12-26-42)53-32-18-15-29-47(53)55(48-36-44-43-27-13-17-31-51(43)59-52(44)37-54(48)60)45-28-14-16-30-49(45)57(40-23-9-3-10-24-40)50-35-41(33-34-46(50)55)56(38-19-5-1-6-20-38)39-21-7-2-8-22-39/h1-41H;2*1-35H;1-37H.

What are the key properties of 3-(14-oxo-10',14-diphenylspiro[10-oxa-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]-3'-yl)-N,N-diphenylaniline;14-oxo-N,N,10',14-tetraphenylspiro[10-oxa-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]-3'-amine;3'-phenothiazin-10-yl-10',14-diphenylspiro[10-oxa-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'-phenoxazin-10-yl-10',14-diphenylspiro[10-oxa-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-(14-oxo-10',14-diphenylspiro[10-oxa-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]-3'-yl)-N,N-diphenylaniline;14-oxo-N,N,10',14-tetraphenylspiro[10-oxa-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]-3'-amine;3'-phenothiazin-10-yl-10',14-diphenylspiro[10-oxa-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'-phenoxazin-10-yl-10',14-diphenylspiro[10-oxa-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 3275.68 g/mol, XLogP of 54.94, 17 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(14-oxo-10',14-diphenylspiro[10-oxa-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]-3'-yl)-N,N-diphenylaniline;14-oxo-N,N,10',14-tetraphenylspiro[10-oxa-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]-3'-amine;3'-phenothiazin-10-yl-10',14-diphenylspiro[10-oxa-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'-phenoxazin-10-yl-10',14-diphenylspiro[10-oxa-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 164964191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).