5,15-bis(1,1,2,2,3,3,3-heptafluoropropyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin

C38H10F24N4 — CID 15282346

About 5,15-bis(1,1,2,2,3,3,3-heptafluoropropyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin

5,15-bis(1,1,2,2,3,3,3-heptafluoropropyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin (PubChem CID 15282346) has the molecular formula C38H10F24N4 and a molecular weight of 978.48 g/mol. Its IUPAC name is 5,15-bis(1,1,2,2,3,3,3-heptafluoropropyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin.

Molecular Properties

• Compound Name: 5,15-bis(1,1,2,2,3,3,3-heptafluoropropyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin
• PubChem CID: 15282346
• Molecular Formula: C38H10F24N4
• Molecular Weight: 978.48 g/mol
• Exact Mass: 978.05
• IUPAC Name: 5,15-bis(1,1,2,2,3,3,3-heptafluoropropyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin
• SMILES: Fc1c(F)c(F)c(-c2c3nc(c(C(F)(F)C(F)(F)C(F)(F)F)c4nc(c(-c5c(F)c(F)c(F)c(F)c5F)c5ccc([nH]5)c(C(F)(F)C(F)(F)C(F)(F)F)c5ccc2[nH]5)C=C4)C=C3)c(F)c1F
• InChI: InChI=1S/C38H10F24N4/c39-23-19(24(40)28(44)31(47)27(23)43)17-9-1-5-13(63-9)21(33(49,50)35(53,54)37(57,58)59)14-7-3-11(65-14)18(20-25(41)29(45)32(48)30(46)26(20)42)12-4-8-16(66-12)22(15-6-2-10(17)64-15)34(51,52)36(55,56)38(60,61)62/h1-8,63,65H/b17-9+,17-10+,18-11+,18-12+,21-13+,21-14+,22-15+,22-16+
• InChIKey: GOFQWECRAQSXMO-ANJVIYKFSA-N
• XLogP: 13.96
• TPSA: 57.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	978.48
LogP ≤ 5	13.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,15-bis(1,1,2,2,3,3,3-heptafluoropropyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin?

The IUPAC name of 5,15-bis(1,1,2,2,3,3,3-heptafluoropropyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin (CID 15282346) is 5,15-bis(1,1,2,2,3,3,3-heptafluoropropyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin.

What is the SMILES notation for 5,15-bis(1,1,2,2,3,3,3-heptafluoropropyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin?

The canonical SMILES for 5,15-bis(1,1,2,2,3,3,3-heptafluoropropyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin is Fc1c(F)c(F)c(-c2c3nc(c(C(F)(F)C(F)(F)C(F)(F)F)c4nc(c(-c5c(F)c(F)c(F)c(F)c5F)c5ccc([nH]5)c(C(F)(F)C(F)(F)C(F)(F)F)c5ccc2[nH]5)C=C4)C=C3)c(F)c1F.

What is the InChIKey of 5,15-bis(1,1,2,2,3,3,3-heptafluoropropyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin?

The InChIKey is GOFQWECRAQSXMO-ANJVIYKFSA-N. The full InChI is InChI=1S/C38H10F24N4/c39-23-19(24(40)28(44)31(47)27(23)43)17-9-1-5-13(63-9)21(33(49,50)35(53,54)37(57,58)59)14-7-3-11(65-14)18(20-25(41)29(45)32(48)30(46)26(20)42)12-4-8-16(66-12)22(15-6-2-10(17)64-15)34(51,52)36(55,56)38(60,61)62/h1-8,63,65H/b17-9+,17-10+,18-11+,18-12+,21-13+,21-14+,22-15+,22-16+.

What are the key properties of 5,15-bis(1,1,2,2,3,3,3-heptafluoropropyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin?

5,15-bis(1,1,2,2,3,3,3-heptafluoropropyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin has a molecular weight of 978.48 g/mol, XLogP of 13.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5,15-bis(1,1,2,2,3,3,3-heptafluoropropyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin is sourced from PubChem (CID 15282346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).