carbon monoxide;ruthenium(2+);5,10,15,20-tetrakis[(1S,5S,8R,12R)-10-(trifluoromethyl)-3-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),10-trienyl]porphyrin-22,24-diide

C89H72F12N4ORu — CID 11251937

About carbon monoxide;ruthenium(2+);5,10,15,20-tetrakis[(1S,5S,8R,12R)-10-(trifluoromethyl)-3-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),10-trienyl]porphyrin-22,24-diide

carbon monoxide;ruthenium(2+);5,10,15,20-tetrakis[(1S,5S,8R,12R)-10-(trifluoromethyl)-3-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),10-trienyl]porphyrin-22,24-diide (PubChem CID 11251937) has the molecular formula C89H72F12N4ORu and a molecular weight of 1542.63 g/mol. Its IUPAC name is carbon monoxide;ruthenium(2+);5,10,15,20-tetrakis[(1S,5S,8R,12R)-10-(trifluoromethyl)-3-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),10-trienyl]porphyrin-22,24-diide.

Molecular Properties

• Compound Name: carbon monoxide;ruthenium(2+);5,10,15,20-tetrakis[(1S,5S,8R,12R)-10-(trifluoromethyl)-3-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),10-trienyl]porphyrin-22,24-diide
• PubChem CID: 11251937
• Molecular Formula: C89H72F12N4ORu
• Molecular Weight: 1542.63 g/mol
• Exact Mass: 1542.46
• IUPAC Name: carbon monoxide;ruthenium(2+);5,10,15,20-tetrakis[(1S,5S,8R,12R)-10-(trifluoromethyl)-3-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),10-trienyl]porphyrin-22,24-diide
• SMILES: FC(F)(F)c1c2c(c(-c3c4nc(c(-c5c6c(c(C(F)(F)F)c7c5[C@H]5CC[C@@H]7C5)[C@@H]5CC[C@H]6C5)c5ccc([n-]5)c(-c5c6c(c(C(F)(F)F)c7c5[C@H]5CC[C@@H]7C5)[C@@H]5CC[C@H]6C5)c5nc(c(-c6c7c(c(C(F)(F)F)c8c6[C@H]6CC[C@@H]8C6)[C@@H]6CC[C@H]7C6)c6ccc3[n-]6)C=C5)C=C4)c3c1[C@@H]1CC[C@H]3C1)[C@H]1CC[C@@H]2C1.[C-]#[O+].[Ru+2]
• InChI: InChI=1S/C88H72F12N4.CO.Ru/c89-85(90,91)81-65-41-9-1-33(25-41)57(65)77(58-34-2-10-42(26-34)66(58)81)73-49-17-19-51(101-49)74(78-59-35-3-11-43(27-35)67(59)82(86(92,93)94)68-44-12-4-36(28-44)60(68)78)53-21-23-55(103-53)76(80-63-39-7-15-47(31-39)71(63)84(88(98,99)100)72-48-16-8-40(32-48)64(72)80)56-24-22-54(104-56)75(52-20-18-50(73)102-52)79-61-37-5-13-45(29-37)69(61)83(87(95,96)97)70-46-14-6-38(30-46)62(70)79;1-2;/h17-24,33-48H,1-16,25-32H2;;/q-2;;+2/b73-49+,73-50+,74-51+,74-53+,75-52+,75-54+,76-55+,76-56+;;/t33-,34-,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45+,46+,47+,48+;;/m0../s1
• InChIKey: YRHJEOJTQUBGIE-KIZLTPHHSA-N
• XLogP: 25.53
• TPSA: 73.88 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1542.63
LogP ≤ 5	25.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;ruthenium(2+);5,10,15,20-tetrakis[(1S,5S,8R,12R)-10-(trifluoromethyl)-3-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),10-trienyl]porphyrin-22,24-diide?

The IUPAC name of carbon monoxide;ruthenium(2+);5,10,15,20-tetrakis[(1S,5S,8R,12R)-10-(trifluoromethyl)-3-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),10-trienyl]porphyrin-22,24-diide (CID 11251937) is carbon monoxide;ruthenium(2+);5,10,15,20-tetrakis[(1S,5S,8R,12R)-10-(trifluoromethyl)-3-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),10-trienyl]porphyrin-22,24-diide.

What is the SMILES notation for carbon monoxide;ruthenium(2+);5,10,15,20-tetrakis[(1S,5S,8R,12R)-10-(trifluoromethyl)-3-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),10-trienyl]porphyrin-22,24-diide?

The canonical SMILES for carbon monoxide;ruthenium(2+);5,10,15,20-tetrakis[(1S,5S,8R,12R)-10-(trifluoromethyl)-3-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),10-trienyl]porphyrin-22,24-diide is FC(F)(F)c1c2c(c(-c3c4nc(c(-c5c6c(c(C(F)(F)F)c7c5[C@H]5CC[C@@H]7C5)[C@@H]5CC[C@H]6C5)c5ccc([n-]5)c(-c5c6c(c(C(F)(F)F)c7c5[C@H]5CC[C@@H]7C5)[C@@H]5CC[C@H]6C5)c5nc(c(-c6c7c(c(C(F)(F)F)c8c6[C@H]6CC[C@@H]8C6)[C@@H]6CC[C@H]7C6)c6ccc3[n-]6)C=C5)C=C4)c3c1[C@@H]1CC[C@H]3C1)[C@H]1CC[C@@H]2C1.[C-]#[O+].[Ru+2].

What is the InChIKey of carbon monoxide;ruthenium(2+);5,10,15,20-tetrakis[(1S,5S,8R,12R)-10-(trifluoromethyl)-3-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),10-trienyl]porphyrin-22,24-diide?

The InChIKey is YRHJEOJTQUBGIE-KIZLTPHHSA-N. The full InChI is InChI=1S/C88H72F12N4.CO.Ru/c89-85(90,91)81-65-41-9-1-33(25-41)57(65)77(58-34-2-10-42(26-34)66(58)81)73-49-17-19-51(101-49)74(78-59-35-3-11-43(27-35)67(59)82(86(92,93)94)68-44-12-4-36(28-44)60(68)78)53-21-23-55(103-53)76(80-63-39-7-15-47(31-39)71(63)84(88(98,99)100)72-48-16-8-40(32-48)64(72)80)56-24-22-54(104-56)75(52-20-18-50(73)102-52)79-61-37-5-13-45(29-37)69(61)83(87(95,96)97)70-46-14-6-38(30-46)62(70)79;1-2;/h17-24,33-48H,1-16,25-32H2;;/q-2;;+2/b73-49+,73-50+,74-51+,74-53+,75-52+,75-54+,76-55+,76-56+;;/t33-,34-,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45+,46+,47+,48+;;/m0../s1.

What are the key properties of carbon monoxide;ruthenium(2+);5,10,15,20-tetrakis[(1S,5S,8R,12R)-10-(trifluoromethyl)-3-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),10-trienyl]porphyrin-22,24-diide?

carbon monoxide;ruthenium(2+);5,10,15,20-tetrakis[(1S,5S,8R,12R)-10-(trifluoromethyl)-3-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),10-trienyl]porphyrin-22,24-diide has a molecular weight of 1542.63 g/mol, XLogP of 25.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for carbon monoxide;ruthenium(2+);5,10,15,20-tetrakis[(1S,5S,8R,12R)-10-(trifluoromethyl)-3-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),10-trienyl]porphyrin-22,24-diide is sourced from PubChem (CID 11251937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).