(2S,4R,14R,16S,19R)-2,3,7,8,12,13,17,18-octaethyl-1,2,3,4,5,6,9,10,11,14,15,16,19,20-tetradecahydroporphyrin-21,22,23,24-tetraide;platinum(4+)

C36H58N4Pt — CID 140709864

IUPAC(2S,4R,14R,16S,19R)-2,3,7,8,12,13,17,18-octaethyl-1,2,3,4,5,6,9,10,11,14,15,16,19,20-tetradecahydroporphyrin-21,22,23,24-tetraide;platinum(4+)
SMILESCCC1=C(CC)C2C[C@H]3[N-]C(C[C@H]4[N-][C@@H](C[C@H]5[N-]C(CC1[N-]2)C(CC)=C5CC)C(CC)=C4CC)[C@@H](CC)C3CC.[Pt+4]
InChIInChI=1S/C36H58N4.Pt/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;/h21-22,29-36H,9-20H2,1-8H3;/q-4;+4/t21-,22?,29?,30+,31+,32?,33-,34?,35+,36?;/m0./s1
InChIKeyPKXRNFHWAOXRRM-VAZYBGQHSA-N
MW741.97 g/mol
LogP10.46
Rot. Bonds8

About (2S,4R,14R,16S,19R)-2,3,7,8,12,13,17,18-octaethyl-1,2,3,4,5,6,9,10,11,14,15,16,19,20-tetradecahydroporphyrin-21,22,23,24-tetraide;platinum(4+)

(2S,4R,14R,16S,19R)-2,3,7,8,12,13,17,18-octaethyl-1,2,3,4,5,6,9,10,11,14,15,16,19,20-tetradecahydroporphyrin-21,22,23,24-tetraide;platinum(4+) (PubChem CID 140709864) has the molecular formula C36H58N4Pt and a molecular weight of 741.97 g/mol. Its IUPAC name is (2S,4R,14R,16S,19R)-2,3,7,8,12,13,17,18-octaethyl-1,2,3,4,5,6,9,10,11,14,15,16,19,20-tetradecahydroporphyrin-21,22,23,24-tetraide;platinum(4+).

Molecular Properties

Compound Name(2S,4R,14R,16S,19R)-2,3,7,8,12,13,17,18-octaethyl-1,2,3,4,5,6,9,10,11,14,15,16,19,20-tetradecahydroporphyrin-21,22,23,24-tetraide;platinum(4+)
PubChem CID140709864
Molecular FormulaC36H58N4Pt
Molecular Weight741.97 g/mol
Exact Mass741.43
IUPAC Name(2S,4R,14R,16S,19R)-2,3,7,8,12,13,17,18-octaethyl-1,2,3,4,5,6,9,10,11,14,15,16,19,20-tetradecahydroporphyrin-21,22,23,24-tetraide;platinum(4+)
SMILESCCC1=C(CC)C2C[C@H]3[N-]C(C[C@H]4[N-][C@@H](C[C@H]5[N-]C(CC1[N-]2)C(CC)=C5CC)C(CC)=C4CC)[C@@H](CC)C3CC.[Pt+4]
InChIInChI=1S/C36H58N4.Pt/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;/h21-22,29-36H,9-20H2,1-8H3;/q-4;+4/t21-,22?,29?,30+,31+,32?,33-,34?,35+,36?;/m0./s1
InChIKeyPKXRNFHWAOXRRM-VAZYBGQHSA-N
XLogP10.46
TPSA56.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.97
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2S,4R,14R,16S,19R)-2,3,7,8,12,13,17,18-octaethyl-1,2,3,4,5,6,9,10,11,14,15,16,19,20-tetradecahydroporphyrin-21,22,23,24-tetraide;platinum(4+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,14R,16S,19R)-2,3,7,8,12,13,17,18-octaethyl-1,2,3,4,5,6,9,10,11,14,15,16,19,20-tetradecahydroporphyrin-21,22,23,24-tetraide;platinum(4+)?
The IUPAC name of (2S,4R,14R,16S,19R)-2,3,7,8,12,13,17,18-octaethyl-1,2,3,4,5,6,9,10,11,14,15,16,19,20-tetradecahydroporphyrin-21,22,23,24-tetraide;platinum(4+) (CID 140709864) is (2S,4R,14R,16S,19R)-2,3,7,8,12,13,17,18-octaethyl-1,2,3,4,5,6,9,10,11,14,15,16,19,20-tetradecahydroporphyrin-21,22,23,24-tetraide;platinum(4+).
What is the SMILES notation for (2S,4R,14R,16S,19R)-2,3,7,8,12,13,17,18-octaethyl-1,2,3,4,5,6,9,10,11,14,15,16,19,20-tetradecahydroporphyrin-21,22,23,24-tetraide;platinum(4+)?
The canonical SMILES for (2S,4R,14R,16S,19R)-2,3,7,8,12,13,17,18-octaethyl-1,2,3,4,5,6,9,10,11,14,15,16,19,20-tetradecahydroporphyrin-21,22,23,24-tetraide;platinum(4+) is CCC1=C(CC)C2C[C@H]3[N-]C(C[C@H]4[N-][C@@H](C[C@H]5[N-]C(CC1[N-]2)C(CC)=C5CC)C(CC)=C4CC)[C@@H](CC)C3CC.[Pt+4].
What is the InChIKey of (2S,4R,14R,16S,19R)-2,3,7,8,12,13,17,18-octaethyl-1,2,3,4,5,6,9,10,11,14,15,16,19,20-tetradecahydroporphyrin-21,22,23,24-tetraide;platinum(4+)?
The InChIKey is PKXRNFHWAOXRRM-VAZYBGQHSA-N. The full InChI is InChI=1S/C36H58N4.Pt/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;/h21-22,29-36H,9-20H2,1-8H3;/q-4;+4/t21-,22?,29?,30+,31+,32?,33-,34?,35+,36?;/m0./s1.
What are the key properties of (2S,4R,14R,16S,19R)-2,3,7,8,12,13,17,18-octaethyl-1,2,3,4,5,6,9,10,11,14,15,16,19,20-tetradecahydroporphyrin-21,22,23,24-tetraide;platinum(4+)?
(2S,4R,14R,16S,19R)-2,3,7,8,12,13,17,18-octaethyl-1,2,3,4,5,6,9,10,11,14,15,16,19,20-tetradecahydroporphyrin-21,22,23,24-tetraide;platinum(4+) has a molecular weight of 741.97 g/mol, XLogP of 10.46, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,14R,16S,19R)-2,3,7,8,12,13,17,18-octaethyl-1,2,3,4,5,6,9,10,11,14,15,16,19,20-tetradecahydroporphyrin-21,22,23,24-tetraide;platinum(4+) is sourced from PubChem (CID 140709864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).