(5Z,10Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,2-dihydroporphyrin-21,23-diide;platinum(2+)

C36H46N4Pt — CID 58511187

IUPAC(5Z,10Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,2-dihydroporphyrin-21,23-diide;platinum(2+)
SMILESCCC1=C(CC)/C2=C/C3=C(CC)C(CC)C(/C=C4\N=C(/C=c5\[n-]/c(c(CC)c5CC)=C\C1=N2)C(CC)=C4CC)[N-]3.[Pt+2]
InChIInChI=1S/C36H46N4.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;/h17-21,29H,9-16H2,1-8H3;/q-2;+2/b31-17-,32-18-,35-19-,36-20-;
InChIKeyVBIMQQXDXBIXHL-UFOOJJJDSA-N
MW729.87 g/mol
LogP7.70
Rot. Bonds8

About (5Z,10Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,2-dihydroporphyrin-21,23-diide;platinum(2+)

(5Z,10Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,2-dihydroporphyrin-21,23-diide;platinum(2+) (PubChem CID 58511187) has the molecular formula C36H46N4Pt and a molecular weight of 729.87 g/mol. Its IUPAC name is (5Z,10Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,2-dihydroporphyrin-21,23-diide;platinum(2+).

Molecular Properties

Compound Name(5Z,10Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,2-dihydroporphyrin-21,23-diide;platinum(2+)
PubChem CID58511187
Molecular FormulaC36H46N4Pt
Molecular Weight729.87 g/mol
Exact Mass729.34
IUPAC Name(5Z,10Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,2-dihydroporphyrin-21,23-diide;platinum(2+)
SMILESCCC1=C(CC)/C2=C/C3=C(CC)C(CC)C(/C=C4\N=C(/C=c5\[n-]/c(c(CC)c5CC)=C\C1=N2)C(CC)=C4CC)[N-]3.[Pt+2]
InChIInChI=1S/C36H46N4.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;/h17-21,29H,9-16H2,1-8H3;/q-2;+2/b31-17-,32-18-,35-19-,36-20-;
InChIKeyVBIMQQXDXBIXHL-UFOOJJJDSA-N
XLogP7.70
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.87
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z,10Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,2-dihydroporphyrin-21,23-diide;platinum(2+)?
The IUPAC name of (5Z,10Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,2-dihydroporphyrin-21,23-diide;platinum(2+) (CID 58511187) is (5Z,10Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,2-dihydroporphyrin-21,23-diide;platinum(2+).
What is the SMILES notation for (5Z,10Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,2-dihydroporphyrin-21,23-diide;platinum(2+)?
The canonical SMILES for (5Z,10Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,2-dihydroporphyrin-21,23-diide;platinum(2+) is CCC1=C(CC)/C2=C/C3=C(CC)C(CC)C(/C=C4\N=C(/C=c5\[n-]/c(c(CC)c5CC)=C\C1=N2)C(CC)=C4CC)[N-]3.[Pt+2].
What is the InChIKey of (5Z,10Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,2-dihydroporphyrin-21,23-diide;platinum(2+)?
The InChIKey is VBIMQQXDXBIXHL-UFOOJJJDSA-N. The full InChI is InChI=1S/C36H46N4.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;/h17-21,29H,9-16H2,1-8H3;/q-2;+2/b31-17-,32-18-,35-19-,36-20-;.
What are the key properties of (5Z,10Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,2-dihydroporphyrin-21,23-diide;platinum(2+)?
(5Z,10Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,2-dihydroporphyrin-21,23-diide;platinum(2+) has a molecular weight of 729.87 g/mol, XLogP of 7.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,10Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,2-dihydroporphyrin-21,23-diide;platinum(2+) is sourced from PubChem (CID 58511187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).