4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-22-yl)-N,N-diphenylaniline;N-[4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-22-yl)phenyl]-N,4-diphenylaniline;12-phenyl-22-[3-phenyl-5-(4-phenylphenyl)phenyl]-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene 12-oxide

C150H100N5O3P3 — CID 158918749

About 4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-22-yl)-N,N-diphenylaniline;N-[4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-22-yl)phenyl]-N,4-diphenylaniline;12-phenyl-22-[3-phenyl-5-(4-phenylphenyl)phenyl]-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene 12-oxide

4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-22-yl)-N,N-diphenylaniline;N-[4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-22-yl)phenyl]-N,4-diphenylaniline;12-phenyl-22-[3-phenyl-5-(4-phenylphenyl)phenyl]-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene 12-oxide (PubChem CID 158918749) has the molecular formula C150H100N5O3P3 and a molecular weight of 2113.40 g/mol. Its IUPAC name is 4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-22-yl)-N,N-diphenylaniline;N-[4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-22-yl)phenyl]-N,4-diphenylaniline;12-phenyl-22-[3-phenyl-5-(4-phenylphenyl)phenyl]-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene 12-oxide.

Molecular Properties

• Compound Name: 4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-22-yl)-N,N-diphenylaniline;N-[4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-22-yl)phenyl]-N,4-diphenylaniline;12-phenyl-22-[3-phenyl-5-(4-phenylphenyl)phenyl]-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene 12-oxide
• PubChem CID: 158918749
• Molecular Formula: C150H100N5O3P3
• Molecular Weight: 2113.40 g/mol
• Exact Mass: 2111.70
• IUPAC Name: 4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-22-yl)-N,N-diphenylaniline;N-[4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-22-yl)phenyl]-N,4-diphenylaniline;12-phenyl-22-[3-phenyl-5-(4-phenylphenyl)phenyl]-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene 12-oxide
• SMILES: O=P1(c2ccccc2)c2cc3ccccc3cc2-c2cc3c(cc21)c1ccccc1n3-c1cc(-c2ccccc2)cc(-c2ccc(-c3ccccc3)cc2)c1.O=P1(c2ccccc2)c2cc3ccccc3cc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1.O=P1(c2ccccc2)c2cc3ccccc3cc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(N(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C52H35N2OP.C52H34NOP.C46H31N2OP/c55-56(44-20-8-3-9-21-44)51-33-39-17-11-10-16-38(39)32-47(51)48-34-50-46(35-52(48)56)45-22-12-13-23-49(45)54(50)43-30-28-42(29-31-43)53(40-18-6-2-7-19-40)41-26-24-37(25-27-41)36-14-4-1-5-15-36;54-55(44-20-8-3-9-21-44)51-32-40-19-11-10-18-39(40)31-47(51)48-33-50-46(34-52(48)55)45-22-12-13-23-49(45)53(50)43-29-41(36-16-6-2-7-17-36)28-42(30-43)38-26-24-37(25-27-38)35-14-4-1-5-15-35;49-50(38-20-8-3-9-21-38)45-29-33-15-11-10-14-32(33)28-41(45)42-30-44-40(31-46(42)50)39-22-12-13-23-43(39)48(44)37-26-24-36(25-27-37)47(34-16-4-1-5-17-34)35-18-6-2-7-19-35/h1-35H;1-34H;1-31H
• InChIKey: JHOJYDOMNAHGSF-UHFFFAOYSA-N
• XLogP: 36.28
• TPSA: 72.48 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2113.40
LogP ≤ 5	36.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-22-yl)-N,N-diphenylaniline;N-[4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-22-yl)phenyl]-N,4-diphenylaniline;12-phenyl-22-[3-phenyl-5-(4-phenylphenyl)phenyl]-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene 12-oxide?

The IUPAC name of 4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-22-yl)-N,N-diphenylaniline;N-[4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-22-yl)phenyl]-N,4-diphenylaniline;12-phenyl-22-[3-phenyl-5-(4-phenylphenyl)phenyl]-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene 12-oxide (CID 158918749) is 4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-22-yl)-N,N-diphenylaniline;N-[4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-22-yl)phenyl]-N,4-diphenylaniline;12-phenyl-22-[3-phenyl-5-(4-phenylphenyl)phenyl]-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene 12-oxide.

What is the SMILES notation for 4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-22-yl)-N,N-diphenylaniline;N-[4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-22-yl)phenyl]-N,4-diphenylaniline;12-phenyl-22-[3-phenyl-5-(4-phenylphenyl)phenyl]-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene 12-oxide?

The canonical SMILES for 4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-22-yl)-N,N-diphenylaniline;N-[4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-22-yl)phenyl]-N,4-diphenylaniline;12-phenyl-22-[3-phenyl-5-(4-phenylphenyl)phenyl]-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene 12-oxide is O=P1(c2ccccc2)c2cc3ccccc3cc2-c2cc3c(cc21)c1ccccc1n3-c1cc(-c2ccccc2)cc(-c2ccc(-c3ccccc3)cc2)c1.O=P1(c2ccccc2)c2cc3ccccc3cc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1.O=P1(c2ccccc2)c2cc3ccccc3cc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(N(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-22-yl)-N,N-diphenylaniline;N-[4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-22-yl)phenyl]-N,4-diphenylaniline;12-phenyl-22-[3-phenyl-5-(4-phenylphenyl)phenyl]-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene 12-oxide?

The InChIKey is JHOJYDOMNAHGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N2OP.C52H34NOP.C46H31N2OP/c55-56(44-20-8-3-9-21-44)51-33-39-17-11-10-16-38(39)32-47(51)48-34-50-46(35-52(48)56)45-22-12-13-23-49(45)54(50)43-30-28-42(29-31-43)53(40-18-6-2-7-19-40)41-26-24-37(25-27-41)36-14-4-1-5-15-36;54-55(44-20-8-3-9-21-44)51-32-40-19-11-10-18-39(40)31-47(51)48-33-50-46(34-52(48)55)45-22-12-13-23-49(45)53(50)43-29-41(36-16-6-2-7-17-36)28-42(30-43)38-26-24-37(25-27-38)35-14-4-1-5-15-35;49-50(38-20-8-3-9-21-38)45-29-33-15-11-10-14-32(33)28-41(45)42-30-44-40(31-46(42)50)39-22-12-13-23-43(39)48(44)37-26-24-36(25-27-37)47(34-16-4-1-5-17-34)35-18-6-2-7-19-35/h1-35H;1-34H;1-31H.

What are the key properties of 4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-22-yl)-N,N-diphenylaniline;N-[4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-22-yl)phenyl]-N,4-diphenylaniline;12-phenyl-22-[3-phenyl-5-(4-phenylphenyl)phenyl]-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene 12-oxide?

4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-22-yl)-N,N-diphenylaniline;N-[4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-22-yl)phenyl]-N,4-diphenylaniline;12-phenyl-22-[3-phenyl-5-(4-phenylphenyl)phenyl]-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene 12-oxide has a molecular weight of 2113.40 g/mol, XLogP of 36.28, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-22-yl)-N,N-diphenylaniline;N-[4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-22-yl)phenyl]-N,4-diphenylaniline;12-phenyl-22-[3-phenyl-5-(4-phenylphenyl)phenyl]-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene 12-oxide is sourced from PubChem (CID 158918749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).