platinum(2+);(4Z,9Z,14Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,11-dihydroporphyrin-21,23-diide

C32H38N4Pt — CID 58693025

IUPACplatinum(2+);(4Z,9Z,14Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,11-dihydroporphyrin-21,23-diide
SMILESCCC1=C(C)/C2=C/C3[N-]/C(=C\C4=N/C(=C\C5[N-]/C(=C\C1=N2)C(C)=C5CC)C(C)=C4CC)C(C)=C3CC.[Pt+2]
InChIInChI=1S/C32H38N4.Pt/c1-9-21-17(5)25-14-30-23(11-3)19(7)27(35-30)16-32-24(12-4)20(8)28(36-32)15-31-22(10-2)18(6)26(34-31)13-29(21)33-25;/h13-16,29,32H,9-12H2,1-8H3;/q-2;+2/b25-14-,26-13-,27-16-,28-15-;
InChIKeyZUHNIWDDLBWKRW-LJULZBQYSA-N
MW673.76 g/mol
LogP8.86
Rot. Bonds4

About platinum(2+);(4Z,9Z,14Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,11-dihydroporphyrin-21,23-diide

platinum(2+);(4Z,9Z,14Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,11-dihydroporphyrin-21,23-diide (PubChem CID 58693025) has the molecular formula C32H38N4Pt and a molecular weight of 673.76 g/mol. Its IUPAC name is platinum(2+);(4Z,9Z,14Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,11-dihydroporphyrin-21,23-diide.

Molecular Properties

Compound Nameplatinum(2+);(4Z,9Z,14Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,11-dihydroporphyrin-21,23-diide
PubChem CID58693025
Molecular FormulaC32H38N4Pt
Molecular Weight673.76 g/mol
Exact Mass673.27
IUPAC Nameplatinum(2+);(4Z,9Z,14Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,11-dihydroporphyrin-21,23-diide
SMILESCCC1=C(C)/C2=C/C3[N-]/C(=C\C4=N/C(=C\C5[N-]/C(=C\C1=N2)C(C)=C5CC)C(C)=C4CC)C(C)=C3CC.[Pt+2]
InChIInChI=1S/C32H38N4.Pt/c1-9-21-17(5)25-14-30-23(11-3)19(7)27(35-30)16-32-24(12-4)20(8)28(36-32)15-31-22(10-2)18(6)26(34-31)13-29(21)33-25;/h13-16,29,32H,9-12H2,1-8H3;/q-2;+2/b25-14-,26-13-,27-16-,28-15-;
InChIKeyZUHNIWDDLBWKRW-LJULZBQYSA-N
XLogP8.86
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.76
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of platinum(2+);(4Z,9Z,14Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,11-dihydroporphyrin-21,23-diide?
The IUPAC name of platinum(2+);(4Z,9Z,14Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,11-dihydroporphyrin-21,23-diide (CID 58693025) is platinum(2+);(4Z,9Z,14Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,11-dihydroporphyrin-21,23-diide.
What is the SMILES notation for platinum(2+);(4Z,9Z,14Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,11-dihydroporphyrin-21,23-diide?
The canonical SMILES for platinum(2+);(4Z,9Z,14Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,11-dihydroporphyrin-21,23-diide is CCC1=C(C)/C2=C/C3[N-]/C(=C\C4=N/C(=C\C5[N-]/C(=C\C1=N2)C(C)=C5CC)C(C)=C4CC)C(C)=C3CC.[Pt+2].
What is the InChIKey of platinum(2+);(4Z,9Z,14Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,11-dihydroporphyrin-21,23-diide?
The InChIKey is ZUHNIWDDLBWKRW-LJULZBQYSA-N. The full InChI is InChI=1S/C32H38N4.Pt/c1-9-21-17(5)25-14-30-23(11-3)19(7)27(35-30)16-32-24(12-4)20(8)28(36-32)15-31-22(10-2)18(6)26(34-31)13-29(21)33-25;/h13-16,29,32H,9-12H2,1-8H3;/q-2;+2/b25-14-,26-13-,27-16-,28-15-;.
What are the key properties of platinum(2+);(4Z,9Z,14Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,11-dihydroporphyrin-21,23-diide?
platinum(2+);(4Z,9Z,14Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,11-dihydroporphyrin-21,23-diide has a molecular weight of 673.76 g/mol, XLogP of 8.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);(4Z,9Z,14Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,11-dihydroporphyrin-21,23-diide is sourced from PubChem (CID 58693025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).