3-[(4Z,10Z,15Z,19Z)-7,12-bis(ethenyl)-3,8,13,17-tetramethyl-18-[3-(methylamino)-3-oxopropyl]-14,22-dihydroporphyrin-23,24-diid-2-yl]propanoic acid;iron(2+)

C35H37FeN5O3 — CID 143862747

About 3-[(4Z,10Z,15Z,19Z)-7,12-bis(ethenyl)-3,8,13,17-tetramethyl-18-[3-(methylamino)-3-oxopropyl]-14,22-dihydroporphyrin-23,24-diid-2-yl]propanoic acid;iron(2+)

3-[(4Z,10Z,15Z,19Z)-7,12-bis(ethenyl)-3,8,13,17-tetramethyl-18-[3-(methylamino)-3-oxopropyl]-14,22-dihydroporphyrin-23,24-diid-2-yl]propanoic acid;iron(2+) (PubChem CID 143862747) has the molecular formula C35H37FeN5O3 and a molecular weight of 631.56 g/mol. Its IUPAC name is 3-[(4Z,10Z,15Z,19Z)-7,12-bis(ethenyl)-3,8,13,17-tetramethyl-18-[3-(methylamino)-3-oxopropyl]-14,22-dihydroporphyrin-23,24-diid-2-yl]propanoic acid;iron(2+).

Molecular Properties

• Compound Name: 3-[(4Z,10Z,15Z,19Z)-7,12-bis(ethenyl)-3,8,13,17-tetramethyl-18-[3-(methylamino)-3-oxopropyl]-14,22-dihydroporphyrin-23,24-diid-2-yl]propanoic acid;iron(2+)
• PubChem CID: 143862747
• Molecular Formula: C35H37FeN5O3
• Molecular Weight: 631.56 g/mol
• Exact Mass: 631.22
• IUPAC Name: 3-[(4Z,10Z,15Z,19Z)-7,12-bis(ethenyl)-3,8,13,17-tetramethyl-18-[3-(methylamino)-3-oxopropyl]-14,22-dihydroporphyrin-23,24-diid-2-yl]propanoic acid;iron(2+)
• SMILES: C=CC1=C(C)C2/C=c3\[n-]/c(c(CCC(=O)NC)c3C)=C\C3=N/C(=C\c4[nH]c(c(C)c4C=C)/C=C/1[N-]2)C(C)=C3CCC(=O)O.[Fe+2]
• InChI: InChI=1S/C35H39N5O3.Fe/c1-8-22-18(3)26-14-27-20(5)24(10-12-34(41)36-7)32(39-27)17-33-25(11-13-35(42)43)21(6)29(40-33)16-31-23(9-2)19(4)28(38-31)15-30(22)37-26;/h8-9,14-17,26H,1-2,10-13H2,3-7H3,(H5,36,37,38,39,40,41,42,43);/q;+2/p-2/b27-14-
• InChIKey: STQWBSXGOYJNBP-JXTIHSCLSA-L
• XLogP: 4.76
• TPSA: 122.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	631.56
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(4Z,10Z,15Z,19Z)-7,12-bis(ethenyl)-3,8,13,17-tetramethyl-18-[3-(methylamino)-3-oxopropyl]-14,22-dihydroporphyrin-23,24-diid-2-yl]propanoic acid;iron(2+)?

The IUPAC name of 3-[(4Z,10Z,15Z,19Z)-7,12-bis(ethenyl)-3,8,13,17-tetramethyl-18-[3-(methylamino)-3-oxopropyl]-14,22-dihydroporphyrin-23,24-diid-2-yl]propanoic acid;iron(2+) (CID 143862747) is 3-[(4Z,10Z,15Z,19Z)-7,12-bis(ethenyl)-3,8,13,17-tetramethyl-18-[3-(methylamino)-3-oxopropyl]-14,22-dihydroporphyrin-23,24-diid-2-yl]propanoic acid;iron(2+).

What is the SMILES notation for 3-[(4Z,10Z,15Z,19Z)-7,12-bis(ethenyl)-3,8,13,17-tetramethyl-18-[3-(methylamino)-3-oxopropyl]-14,22-dihydroporphyrin-23,24-diid-2-yl]propanoic acid;iron(2+)?

The canonical SMILES for 3-[(4Z,10Z,15Z,19Z)-7,12-bis(ethenyl)-3,8,13,17-tetramethyl-18-[3-(methylamino)-3-oxopropyl]-14,22-dihydroporphyrin-23,24-diid-2-yl]propanoic acid;iron(2+) is C=CC1=C(C)C2/C=c3\[n-]/c(c(CCC(=O)NC)c3C)=C\C3=N/C(=C\c4[nH]c(c(C)c4C=C)/C=C/1[N-]2)C(C)=C3CCC(=O)O.[Fe+2].

What is the InChIKey of 3-[(4Z,10Z,15Z,19Z)-7,12-bis(ethenyl)-3,8,13,17-tetramethyl-18-[3-(methylamino)-3-oxopropyl]-14,22-dihydroporphyrin-23,24-diid-2-yl]propanoic acid;iron(2+)?

The InChIKey is STQWBSXGOYJNBP-JXTIHSCLSA-L. The full InChI is InChI=1S/C35H39N5O3.Fe/c1-8-22-18(3)26-14-27-20(5)24(10-12-34(41)36-7)32(39-27)17-33-25(11-13-35(42)43)21(6)29(40-33)16-31-23(9-2)19(4)28(38-31)15-30(22)37-26;/h8-9,14-17,26H,1-2,10-13H2,3-7H3,(H5,36,37,38,39,40,41,42,43);/q;+2/p-2/b27-14-;.

What are the key properties of 3-[(4Z,10Z,15Z,19Z)-7,12-bis(ethenyl)-3,8,13,17-tetramethyl-18-[3-(methylamino)-3-oxopropyl]-14,22-dihydroporphyrin-23,24-diid-2-yl]propanoic acid;iron(2+)?

3-[(4Z,10Z,15Z,19Z)-7,12-bis(ethenyl)-3,8,13,17-tetramethyl-18-[3-(methylamino)-3-oxopropyl]-14,22-dihydroporphyrin-23,24-diid-2-yl]propanoic acid;iron(2+) has a molecular weight of 631.56 g/mol, XLogP of 4.76, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4Z,10Z,15Z,19Z)-7,12-bis(ethenyl)-3,8,13,17-tetramethyl-18-[3-(methylamino)-3-oxopropyl]-14,22-dihydroporphyrin-23,24-diid-2-yl]propanoic acid;iron(2+) is sourced from PubChem (CID 143862747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).