5-(4-azidophenyl)-10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin

C44H14F15N7 — CID 162352982

About 5-(4-azidophenyl)-10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin

5-(4-azidophenyl)-10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin (PubChem CID 162352982) has the molecular formula C44H14F15N7 and a molecular weight of 925.61 g/mol. Its IUPAC name is 5-(4-azidophenyl)-10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin.

Molecular Properties

• Compound Name: 5-(4-azidophenyl)-10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin
• PubChem CID: 162352982
• Molecular Formula: C44H14F15N7
• Molecular Weight: 925.61 g/mol
• Exact Mass: 925.11
• IUPAC Name: 5-(4-azidophenyl)-10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin
• SMILES: [N-]=[N+]=Nc1ccc(-c2c3nc(c(-c4c(F)c(F)c(F)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(F)c(F)c4F)c4nc(c(-c5c(F)c(F)c(F)c(F)c5F)c5ccc2[nH]5)C=C4)C=C3)cc1
• InChI: InChI=1S/C44H14F15N7/c45-30-27(31(46)37(52)42(57)36(30)51)24-17-7-5-15(61-17)23(13-1-3-14(4-2-13)65-66-60)16-6-8-18(62-16)25(28-32(47)38(53)43(58)39(54)33(28)48)20-10-12-22(64-20)26(21-11-9-19(24)63-21)29-34(49)40(55)44(59)41(56)35(29)50/h1-12,61,64H/b23-15-,23-16-,24-17+,24-19+,25-18+,25-20+,26-21+,26-22+
• InChIKey: MOSKREIUNNVWQF-KWJSPENUSA-N
• XLogP: 14.35
• TPSA: 106.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	925.61
LogP ≤ 5	14.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(4-azidophenyl)-10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin?

The IUPAC name of 5-(4-azidophenyl)-10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin (CID 162352982) is 5-(4-azidophenyl)-10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin.

What is the SMILES notation for 5-(4-azidophenyl)-10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin?

The canonical SMILES for 5-(4-azidophenyl)-10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin is [N-]=[N+]=Nc1ccc(-c2c3nc(c(-c4c(F)c(F)c(F)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(F)c(F)c4F)c4nc(c(-c5c(F)c(F)c(F)c(F)c5F)c5ccc2[nH]5)C=C4)C=C3)cc1.

What is the InChIKey of 5-(4-azidophenyl)-10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin?

The InChIKey is MOSKREIUNNVWQF-KWJSPENUSA-N. The full InChI is InChI=1S/C44H14F15N7/c45-30-27(31(46)37(52)42(57)36(30)51)24-17-7-5-15(61-17)23(13-1-3-14(4-2-13)65-66-60)16-6-8-18(62-16)25(28-32(47)38(53)43(58)39(54)33(28)48)20-10-12-22(64-20)26(21-11-9-19(24)63-21)29-34(49)40(55)44(59)41(56)35(29)50/h1-12,61,64H/b23-15-,23-16-,24-17+,24-19+,25-18+,25-20+,26-21+,26-22+.

What are the key properties of 5-(4-azidophenyl)-10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin?

5-(4-azidophenyl)-10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin has a molecular weight of 925.61 g/mol, XLogP of 14.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-azidophenyl)-10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin is sourced from PubChem (CID 162352982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).