15-[10,15-bis(2,3,4,5,6-pentafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-5,10-bis(2,3,4,5,6-pentafluorophenyl)-22,23-dihydro-21H-corrin

C62H22F20N8 — CID 137265355

About 15-[10,15-bis(2,3,4,5,6-pentafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-5,10-bis(2,3,4,5,6-pentafluorophenyl)-22,23-dihydro-21H-corrin

15-[10,15-bis(2,3,4,5,6-pentafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-5,10-bis(2,3,4,5,6-pentafluorophenyl)-22,23-dihydro-21H-corrin (PubChem CID 137265355) has the molecular formula C62H22F20N8 and a molecular weight of 1258.87 g/mol. Its IUPAC name is 15-[10,15-bis(2,3,4,5,6-pentafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-5,10-bis(2,3,4,5,6-pentafluorophenyl)-22,23-dihydro-21H-corrin.

Molecular Properties

• Compound Name: 15-[10,15-bis(2,3,4,5,6-pentafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-5,10-bis(2,3,4,5,6-pentafluorophenyl)-22,23-dihydro-21H-corrin
• PubChem CID: 137265355
• Molecular Formula: C62H22F20N8
• Molecular Weight: 1258.87 g/mol
• Exact Mass: 1258.16
• IUPAC Name: 15-[10,15-bis(2,3,4,5,6-pentafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-5,10-bis(2,3,4,5,6-pentafluorophenyl)-22,23-dihydro-21H-corrin
• SMILES: Fc1c(F)c(F)c(-c2c3ccc([nH]3)c3nc(c(-c4c5nc(c6ccc([nH]6)c(-c6c(F)c(F)c(F)c(F)c6F)c6ccc([nH]6)c(-c6c(F)c(F)c(F)c(F)c6F)c6ccc4[nH]6)C=C5)c4ccc([nH]4)c(-c4c(F)c(F)c(F)c(F)c4F)c4ccc2[nH]4)C=C3)c(F)c1F
• InChI: InChI=1S/C62H22F20N8/c63-43-39(44(64)52(72)59(79)51(43)71)35-25-7-3-19(85-25)17-1-5-21(83-17)33(23-9-11-29(87-23)37(31-15-13-27(35)89-31)41-47(67)55(75)61(81)56(76)48(41)68)34-22-6-2-18(84-22)20-4-8-26(86-20)36(40-45(65)53(73)60(80)54(74)46(40)66)28-14-16-32(90-28)38(30-12-10-24(34)88-30)42-49(69)57(77)62(82)58(78)50(42)70/h1-16,85-90H/b19-17-,20-18-,33-21+,33-23+,34-22+,34-24+,35-25+,35-27+,36-26+,36-28+,37-29+,37-31+,38-30+,38-32+
• InChIKey: QPYFNCHLAMDSPR-RRZJTEQDSA-N
• XLogP: 18.82
• TPSA: 120.52 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1258.87
LogP ≤ 5	18.82
H-Bond Donors ≤ 5	6
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'}

Frequently Asked Questions

What is the IUPAC name of 15-[10,15-bis(2,3,4,5,6-pentafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-5,10-bis(2,3,4,5,6-pentafluorophenyl)-22,23-dihydro-21H-corrin?

The IUPAC name of 15-[10,15-bis(2,3,4,5,6-pentafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-5,10-bis(2,3,4,5,6-pentafluorophenyl)-22,23-dihydro-21H-corrin (CID 137265355) is 15-[10,15-bis(2,3,4,5,6-pentafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-5,10-bis(2,3,4,5,6-pentafluorophenyl)-22,23-dihydro-21H-corrin.

What is the SMILES notation for 15-[10,15-bis(2,3,4,5,6-pentafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-5,10-bis(2,3,4,5,6-pentafluorophenyl)-22,23-dihydro-21H-corrin?

The canonical SMILES for 15-[10,15-bis(2,3,4,5,6-pentafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-5,10-bis(2,3,4,5,6-pentafluorophenyl)-22,23-dihydro-21H-corrin is Fc1c(F)c(F)c(-c2c3ccc([nH]3)c3nc(c(-c4c5nc(c6ccc([nH]6)c(-c6c(F)c(F)c(F)c(F)c6F)c6ccc([nH]6)c(-c6c(F)c(F)c(F)c(F)c6F)c6ccc4[nH]6)C=C5)c4ccc([nH]4)c(-c4c(F)c(F)c(F)c(F)c4F)c4ccc2[nH]4)C=C3)c(F)c1F.

What is the InChIKey of 15-[10,15-bis(2,3,4,5,6-pentafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-5,10-bis(2,3,4,5,6-pentafluorophenyl)-22,23-dihydro-21H-corrin?

The InChIKey is QPYFNCHLAMDSPR-RRZJTEQDSA-N. The full InChI is InChI=1S/C62H22F20N8/c63-43-39(44(64)52(72)59(79)51(43)71)35-25-7-3-19(85-25)17-1-5-21(83-17)33(23-9-11-29(87-23)37(31-15-13-27(35)89-31)41-47(67)55(75)61(81)56(76)48(41)68)34-22-6-2-18(84-22)20-4-8-26(86-20)36(40-45(65)53(73)60(80)54(74)46(40)66)28-14-16-32(90-28)38(30-12-10-24(34)88-30)42-49(69)57(77)62(82)58(78)50(42)70/h1-16,85-90H/b19-17-,20-18-,33-21+,33-23+,34-22+,34-24+,35-25+,35-27+,36-26+,36-28+,37-29+,37-31+,38-30+,38-32+.

What are the key properties of 15-[10,15-bis(2,3,4,5,6-pentafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-5,10-bis(2,3,4,5,6-pentafluorophenyl)-22,23-dihydro-21H-corrin?

15-[10,15-bis(2,3,4,5,6-pentafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-5,10-bis(2,3,4,5,6-pentafluorophenyl)-22,23-dihydro-21H-corrin has a molecular weight of 1258.87 g/mol, XLogP of 18.82, 5 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 15-[10,15-bis(2,3,4,5,6-pentafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-5,10-bis(2,3,4,5,6-pentafluorophenyl)-22,23-dihydro-21H-corrin is sourced from PubChem (CID 137265355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).