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;N-[4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-22-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C110H74N4O2P2 — CID 157114460

About 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;N-[4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-22-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

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;N-[4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-22-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 157114460) has the molecular formula C110H74N4O2P2 and a molecular weight of 1545.78 g/mol. Its IUPAC name is 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;N-[4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-22-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: 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;N-[4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-22-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
• PubChem CID: 157114460
• Molecular Formula: C110H74N4O2P2
• Molecular Weight: 1545.78 g/mol
• Exact Mass: 1544.53
• IUPAC Name: 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;N-[4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-22-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
• SMILES: O=P1(c2ccccc2)c2cc3c4ccccc4n(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)c3cc2-c2c1ccc1ccccc21.O=P1(c2ccccc2)c2cc3ccccc3cc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1
• InChI: InChI=1S/C58H39N2OP.C52H35N2OP/c61-62(49-19-8-3-9-20-49)56-37-28-44-18-10-11-21-50(44)58(56)53-38-55-52(39-57(53)62)51-22-12-13-23-54(51)60(55)48-35-33-47(34-36-48)59(45-29-24-42(25-30-45)40-14-4-1-5-15-40)46-31-26-43(27-32-46)41-16-6-2-7-17-41;55-56(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/h1-39H;1-35H
• InChIKey: AHFRCQVPTKMVEO-UHFFFAOYSA-N
• XLogP: 27.05
• TPSA: 50.48 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1545.78
LogP ≤ 5	27.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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;N-[4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-22-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The IUPAC name of 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;N-[4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-22-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 157114460) is 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;N-[4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-22-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

What is the SMILES notation for 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;N-[4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-22-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The canonical SMILES for 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;N-[4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-22-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is O=P1(c2ccccc2)c2cc3c4ccccc4n(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)c3cc2-c2c1ccc1ccccc21.O=P1(c2ccccc2)c2cc3ccccc3cc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1.

What is the InChIKey of 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;N-[4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-22-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The InChIKey is AHFRCQVPTKMVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N2OP.C52H35N2OP/c61-62(49-19-8-3-9-20-49)56-37-28-44-18-10-11-21-50(44)58(56)53-38-55-52(39-57(53)62)51-22-12-13-23-54(51)60(55)48-35-33-47(34-36-48)59(45-29-24-42(25-30-45)40-14-4-1-5-15-40)46-31-26-43(27-32-46)41-16-6-2-7-17-41;55-56(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/h1-39H;1-35H.

What are the key properties of 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;N-[4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-22-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

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;N-[4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-22-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 1545.78 g/mol, XLogP of 27.05, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 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;N-[4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-22-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 157114460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).