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

C50H16F18N8 — CID 10534171

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

10,15-bis(2,3,4,5,6-pentafluorophenyl)-5,20-bis(2,3,5,6-tetrafluoro-4-pyrazol-1-ylphenyl)-21,22-dihydroporphyrin (PubChem CID 10534171) has the molecular formula C50H16F18N8 and a molecular weight of 1070.70 g/mol. Its IUPAC name is 10,15-bis(2,3,4,5,6-pentafluorophenyl)-5,20-bis(2,3,5,6-tetrafluoro-4-pyrazol-1-ylphenyl)-21,22-dihydroporphyrin.

Molecular Properties

• Compound Name: 10,15-bis(2,3,4,5,6-pentafluorophenyl)-5,20-bis(2,3,5,6-tetrafluoro-4-pyrazol-1-ylphenyl)-21,22-dihydroporphyrin
• PubChem CID: 10534171
• Molecular Formula: C50H16F18N8
• Molecular Weight: 1070.70 g/mol
• Exact Mass: 1070.12
• IUPAC Name: 10,15-bis(2,3,4,5,6-pentafluorophenyl)-5,20-bis(2,3,5,6-tetrafluoro-4-pyrazol-1-ylphenyl)-21,22-dihydroporphyrin
• SMILES: Fc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(F)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(-n5cccn5)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(-n5cccn5)c(F)c4F)c4nc2C=C4)C=C3)c(F)c1F
• InChI: InChI=1S/C50H16F18N8/c51-31-27(32(52)40(60)43(63)39(31)59)23-15-3-4-16(71-15)24(28-33(53)41(61)44(64)42(62)34(28)54)18-6-8-20(73-18)26(30-37(57)47(67)50(48(68)38(30)58)76-14-2-12-70-76)22-10-9-21(74-22)25(19-7-5-17(23)72-19)29-35(55)45(65)49(46(66)36(29)56)75-13-1-11-69-75/h1-14,72,74H/b23-15+,23-17+,24-16+,24-18+,25-19+,25-21+,26-20+,26-22+
• InChIKey: NIAZCSHLQPBLBC-ACMQTNTFSA-N
• XLogP: 14.20
• TPSA: 93.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1070.70
LogP ≤ 5	14.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'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 10,15-bis(2,3,4,5,6-pentafluorophenyl)-5,20-bis(2,3,5,6-tetrafluoro-4-pyrazol-1-ylphenyl)-21,22-dihydroporphyrin?

The IUPAC name of 10,15-bis(2,3,4,5,6-pentafluorophenyl)-5,20-bis(2,3,5,6-tetrafluoro-4-pyrazol-1-ylphenyl)-21,22-dihydroporphyrin (CID 10534171) is 10,15-bis(2,3,4,5,6-pentafluorophenyl)-5,20-bis(2,3,5,6-tetrafluoro-4-pyrazol-1-ylphenyl)-21,22-dihydroporphyrin.

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

The canonical SMILES for 10,15-bis(2,3,4,5,6-pentafluorophenyl)-5,20-bis(2,3,5,6-tetrafluoro-4-pyrazol-1-ylphenyl)-21,22-dihydroporphyrin is Fc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(F)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(-n5cccn5)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(-n5cccn5)c(F)c4F)c4nc2C=C4)C=C3)c(F)c1F.

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

The InChIKey is NIAZCSHLQPBLBC-ACMQTNTFSA-N. The full InChI is InChI=1S/C50H16F18N8/c51-31-27(32(52)40(60)43(63)39(31)59)23-15-3-4-16(71-15)24(28-33(53)41(61)44(64)42(62)34(28)54)18-6-8-20(73-18)26(30-37(57)47(67)50(48(68)38(30)58)76-14-2-12-70-76)22-10-9-21(74-22)25(19-7-5-17(23)72-19)29-35(55)45(65)49(46(66)36(29)56)75-13-1-11-69-75/h1-14,72,74H/b23-15+,23-17+,24-16+,24-18+,25-19+,25-21+,26-20+,26-22+.

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

10,15-bis(2,3,4,5,6-pentafluorophenyl)-5,20-bis(2,3,5,6-tetrafluoro-4-pyrazol-1-ylphenyl)-21,22-dihydroporphyrin has a molecular weight of 1070.70 g/mol, XLogP of 14.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10,15-bis(2,3,4,5,6-pentafluorophenyl)-5,20-bis(2,3,5,6-tetrafluoro-4-pyrazol-1-ylphenyl)-21,22-dihydroporphyrin is sourced from PubChem (CID 10534171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).