[4-(4-methoxy-N-[22-(N-(4-methoxyphenyl)-4-methylanilino)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaenyl]anilino)phenyl]phosphanium

C65H48N2O2P+ — CID 142208301

About [4-(4-methoxy-N-[22-(N-(4-methoxyphenyl)-4-methylanilino)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaenyl]anilino)phenyl]phosphanium

[4-(4-methoxy-N-[22-(N-(4-methoxyphenyl)-4-methylanilino)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaenyl]anilino)phenyl]phosphanium (PubChem CID 142208301) has the molecular formula C65H48N2O2P+ and a molecular weight of 920.09 g/mol. Its IUPAC name is [4-(4-methoxy-N-[22-(N-(4-methoxyphenyl)-4-methylanilino)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaenyl]anilino)phenyl]phosphanium.

Molecular Properties

• Compound Name: [4-(4-methoxy-N-[22-(N-(4-methoxyphenyl)-4-methylanilino)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaenyl]anilino)phenyl]phosphanium
• PubChem CID: 142208301
• Molecular Formula: C65H48N2O2P+
• Molecular Weight: 920.09 g/mol
• Exact Mass: 919.34
• IUPAC Name: [4-(4-methoxy-N-[22-(N-(4-methoxyphenyl)-4-methylanilino)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaenyl]anilino)phenyl]phosphanium
• SMILES: COc1ccc(N(c2ccc(C)cc2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7ccc([PH3+])cc7)c7ccc(OC)cc7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1
• InChI: InChI=1S/C65H47N2O2P/c1-40-20-22-43(23-21-40)66(44-24-30-47(68-2)31-25-44)56-38-36-54-60-50(56)16-10-18-52(60)62-58(41-12-6-4-7-13-41)63-53-19-11-17-51-57(67(46-28-34-49(70)35-29-46)45-26-32-48(69-3)33-27-45)39-37-55(61(51)53)65(63)59(64(54)62)42-14-8-5-9-15-42/h4-39H,70H2,1-3H3/p+1
• InChIKey: AIZPGGBSYRNQBP-UHFFFAOYSA-O
• XLogP: 17.31
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	920.09
LogP ≤ 5	17.31
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 [4-(4-methoxy-N-[22-(N-(4-methoxyphenyl)-4-methylanilino)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaenyl]anilino)phenyl]phosphanium?

The IUPAC name of [4-(4-methoxy-N-[22-(N-(4-methoxyphenyl)-4-methylanilino)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaenyl]anilino)phenyl]phosphanium (CID 142208301) is [4-(4-methoxy-N-[22-(N-(4-methoxyphenyl)-4-methylanilino)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaenyl]anilino)phenyl]phosphanium.

What is the SMILES notation for [4-(4-methoxy-N-[22-(N-(4-methoxyphenyl)-4-methylanilino)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaenyl]anilino)phenyl]phosphanium?

The canonical SMILES for [4-(4-methoxy-N-[22-(N-(4-methoxyphenyl)-4-methylanilino)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaenyl]anilino)phenyl]phosphanium is COc1ccc(N(c2ccc(C)cc2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7ccc([PH3+])cc7)c7ccc(OC)cc7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.

What is the InChIKey of [4-(4-methoxy-N-[22-(N-(4-methoxyphenyl)-4-methylanilino)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaenyl]anilino)phenyl]phosphanium?

The InChIKey is AIZPGGBSYRNQBP-UHFFFAOYSA-O. The full InChI is InChI=1S/C65H47N2O2P/c1-40-20-22-43(23-21-40)66(44-24-30-47(68-2)31-25-44)56-38-36-54-60-50(56)16-10-18-52(60)62-58(41-12-6-4-7-13-41)63-53-19-11-17-51-57(67(46-28-34-49(70)35-29-46)45-26-32-48(69-3)33-27-45)39-37-55(61(51)53)65(63)59(64(54)62)42-14-8-5-9-15-42/h4-39H,70H2,1-3H3/p+1.

What are the key properties of [4-(4-methoxy-N-[22-(N-(4-methoxyphenyl)-4-methylanilino)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaenyl]anilino)phenyl]phosphanium?

[4-(4-methoxy-N-[22-(N-(4-methoxyphenyl)-4-methylanilino)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaenyl]anilino)phenyl]phosphanium has a molecular weight of 920.09 g/mol, XLogP of 17.31, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(4-methoxy-N-[22-(N-(4-methoxyphenyl)-4-methylanilino)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaenyl]anilino)phenyl]phosphanium is sourced from PubChem (CID 142208301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).