disodium;3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-10-oxo-23,24-dihydro-21H-porphyrin-2-yl]propanoate;bis(3-[18-(2-carboxylatoethyl)-7,12-diethyl-3,8,13,17-tetramethyl-10-oxo-22,24-dihydro-21H-porphyrin-2-yl]propanoate);indium(3+)

C102H109InN12Na2O15 — CID 173203154

About disodium;3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-10-oxo-23,24-dihydro-21H-porphyrin-2-yl]propanoate;bis(3-[18-(2-carboxylatoethyl)-7,12-diethyl-3,8,13,17-tetramethyl-10-oxo-22,24-dihydro-21H-porphyrin-2-yl]propanoate);indium(3+)

disodium;3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-10-oxo-23,24-dihydro-21H-porphyrin-2-yl]propanoate;bis(3-[18-(2-carboxylatoethyl)-7,12-diethyl-3,8,13,17-tetramethyl-10-oxo-22,24-dihydro-21H-porphyrin-2-yl]propanoate);indium(3+) (PubChem CID 173203154) has the molecular formula C102H109InN12Na2O15 and a molecular weight of 1903.86 g/mol. Its IUPAC name is disodium;3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-10-oxo-23,24-dihydro-21H-porphyrin-2-yl]propanoate;bis(3-[18-(2-carboxylatoethyl)-7,12-diethyl-3,8,13,17-tetramethyl-10-oxo-22,24-dihydro-21H-porphyrin-2-yl]propanoate);indium(3+).

Molecular Properties

• Compound Name: disodium;3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-10-oxo-23,24-dihydro-21H-porphyrin-2-yl]propanoate;bis(3-[18-(2-carboxylatoethyl)-7,12-diethyl-3,8,13,17-tetramethyl-10-oxo-22,24-dihydro-21H-porphyrin-2-yl]propanoate);indium(3+)
• PubChem CID: 173203154
• Molecular Formula: C102H109InN12Na2O15
• Molecular Weight: 1903.86 g/mol
• Exact Mass: 1902.70
• IUPAC Name: disodium;3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-10-oxo-23,24-dihydro-21H-porphyrin-2-yl]propanoate;bis(3-[18-(2-carboxylatoethyl)-7,12-diethyl-3,8,13,17-tetramethyl-10-oxo-22,24-dihydro-21H-porphyrin-2-yl]propanoate);indium(3+)
• SMILES: CCC1=C(C)c2cc3[nH]c(cc4[nH]c(cc5[nH]c(c(C)c5CC)c(=O)c1n2)c(C)c4CCC(=O)O)c(CCC(=O)[O-])c3C.CCC1=C(C)c2cc3[nH]c(cc4[nH]c(cc5[nH]c(c(C)c5CC)c(=O)c1n2)c(C)c4CCC(=O)[O-])c(CCC(=O)[O-])c3C.CCC1=C(C)c2cc3[nH]c(cc4[nH]c(cc5[nH]c(c(C)c5CC)c(=O)c1n2)c(C)c4CCC(=O)[O-])c(CCC(=O)[O-])c3C.[In+3].[Na+].[Na+]
• InChI: InChI=1S/3C34H38N4O5.In.2Na/c3*1-7-20-19(6)32-34(43)33-21(8-2)16(3)26(37-33)13-24-17(4)22(9-11-30(39)40)28(35-24)15-29-23(10-12-31(41)42)18(5)25(36-29)14-27(20)38-32;;;/h3*13-15,35-36,38H,7-12H2,1-6H3,(H,39,40)(H,41,42);;;/q;;;+3;2*+1/p-5/b3*25-14-,26-13-,29-15-
• InChIKey: IDDOPLJQUVTHJC-MUMUNQGQSA-I
• XLogP: 7.20
• TPSA: 469.94 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 17
• Rotatable Bonds: 24
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1903.86
LogP ≤ 5	7.20
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of disodium;3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-10-oxo-23,24-dihydro-21H-porphyrin-2-yl]propanoate;bis(3-[18-(2-carboxylatoethyl)-7,12-diethyl-3,8,13,17-tetramethyl-10-oxo-22,24-dihydro-21H-porphyrin-2-yl]propanoate);indium(3+)?

The IUPAC name of disodium;3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-10-oxo-23,24-dihydro-21H-porphyrin-2-yl]propanoate;bis(3-[18-(2-carboxylatoethyl)-7,12-diethyl-3,8,13,17-tetramethyl-10-oxo-22,24-dihydro-21H-porphyrin-2-yl]propanoate);indium(3+) (CID 173203154) is disodium;3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-10-oxo-23,24-dihydro-21H-porphyrin-2-yl]propanoate;bis(3-[18-(2-carboxylatoethyl)-7,12-diethyl-3,8,13,17-tetramethyl-10-oxo-22,24-dihydro-21H-porphyrin-2-yl]propanoate);indium(3+).

What is the SMILES notation for disodium;3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-10-oxo-23,24-dihydro-21H-porphyrin-2-yl]propanoate;bis(3-[18-(2-carboxylatoethyl)-7,12-diethyl-3,8,13,17-tetramethyl-10-oxo-22,24-dihydro-21H-porphyrin-2-yl]propanoate);indium(3+)?

The canonical SMILES for disodium;3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-10-oxo-23,24-dihydro-21H-porphyrin-2-yl]propanoate;bis(3-[18-(2-carboxylatoethyl)-7,12-diethyl-3,8,13,17-tetramethyl-10-oxo-22,24-dihydro-21H-porphyrin-2-yl]propanoate);indium(3+) is CCC1=C(C)c2cc3[nH]c(cc4[nH]c(cc5[nH]c(c(C)c5CC)c(=O)c1n2)c(C)c4CCC(=O)O)c(CCC(=O)[O-])c3C.CCC1=C(C)c2cc3[nH]c(cc4[nH]c(cc5[nH]c(c(C)c5CC)c(=O)c1n2)c(C)c4CCC(=O)[O-])c(CCC(=O)[O-])c3C.CCC1=C(C)c2cc3[nH]c(cc4[nH]c(cc5[nH]c(c(C)c5CC)c(=O)c1n2)c(C)c4CCC(=O)[O-])c(CCC(=O)[O-])c3C.[In+3].[Na+].[Na+].

What is the InChIKey of disodium;3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-10-oxo-23,24-dihydro-21H-porphyrin-2-yl]propanoate;bis(3-[18-(2-carboxylatoethyl)-7,12-diethyl-3,8,13,17-tetramethyl-10-oxo-22,24-dihydro-21H-porphyrin-2-yl]propanoate);indium(3+)?

The InChIKey is IDDOPLJQUVTHJC-MUMUNQGQSA-I. The full InChI is InChI=1S/3C34H38N4O5.In.2Na/c3*1-7-20-19(6)32-34(43)33-21(8-2)16(3)26(37-33)13-24-17(4)22(9-11-30(39)40)28(35-24)15-29-23(10-12-31(41)42)18(5)25(36-29)14-27(20)38-32;;;/h3*13-15,35-36,38H,7-12H2,1-6H3,(H,39,40)(H,41,42);;;/q;;;+3;2*+1/p-5/b3*25-14-,26-13-,29-15-;;;.

What are the key properties of disodium;3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-10-oxo-23,24-dihydro-21H-porphyrin-2-yl]propanoate;bis(3-[18-(2-carboxylatoethyl)-7,12-diethyl-3,8,13,17-tetramethyl-10-oxo-22,24-dihydro-21H-porphyrin-2-yl]propanoate);indium(3+)?

disodium;3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-10-oxo-23,24-dihydro-21H-porphyrin-2-yl]propanoate;bis(3-[18-(2-carboxylatoethyl)-7,12-diethyl-3,8,13,17-tetramethyl-10-oxo-22,24-dihydro-21H-porphyrin-2-yl]propanoate);indium(3+) has a molecular weight of 1903.86 g/mol, XLogP of 7.20, 24 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-10-oxo-23,24-dihydro-21H-porphyrin-2-yl]propanoate;bis(3-[18-(2-carboxylatoethyl)-7,12-diethyl-3,8,13,17-tetramethyl-10-oxo-22,24-dihydro-21H-porphyrin-2-yl]propanoate);indium(3+) is sourced from PubChem (CID 173203154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).