(5Z,10Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-1,20-dihydroporphyrin;platinum

C36H46N4Pt — CID 168743762

IUPAC(5Z,10Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-1,20-dihydroporphyrin;platinum
SMILESCCC1=C(CC)/C2=C/C3=N/C(=C\C4=NC(CC5=N/C(=C\C1=N2)C(CC)=C5CC)C(CC)=C4CC)C(CC)=C3CC.[Pt]
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;/h17-19,34H,9-16,20H2,1-8H3;/b30-18-,31-17-,35-19-;
InChIKeyWKSIMRMZAXCQGB-NUJIRDDASA-N
MW729.87 g/mol
LogP9.69
Rot. Bonds8

About (5Z,10Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-1,20-dihydroporphyrin;platinum

(5Z,10Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-1,20-dihydroporphyrin;platinum (PubChem CID 168743762) has the molecular formula C36H46N4Pt and a molecular weight of 729.87 g/mol. Its IUPAC name is (5Z,10Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-1,20-dihydroporphyrin;platinum.

Molecular Properties

Compound Name(5Z,10Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-1,20-dihydroporphyrin;platinum
PubChem CID168743762
Molecular FormulaC36H46N4Pt
Molecular Weight729.87 g/mol
Exact Mass729.34
IUPAC Name(5Z,10Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-1,20-dihydroporphyrin;platinum
SMILESCCC1=C(CC)/C2=C/C3=N/C(=C\C4=NC(CC5=N/C(=C\C1=N2)C(CC)=C5CC)C(CC)=C4CC)C(CC)=C3CC.[Pt]
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;/h17-19,34H,9-16,20H2,1-8H3;/b30-18-,31-17-,35-19-;
InChIKeyWKSIMRMZAXCQGB-NUJIRDDASA-N
XLogP9.69
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.87
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5Z,10Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-1,20-dihydroporphyrin;platinum with MolForge

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Related Compounds

platinum(II) octaethylporphyrin
CID 20580278
(5Z,10Z,14Z,19Z)-3,7,8,12,13,17,18-heptaethyl-1,2-dihydroporphyrin-21,23-diide;platinum(2+)
CID 57539966
(5Z,10Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,2-dihydroporphyrin-21,23-diide;platinum(2+)
CID 58511187
CID 58544580
CID 58544580
(4Z,9Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,11-dihydroporphyrin-21,23-diide;palladium(2+)
CID 58692871
platinum(2+);(4Z,9Z,14Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-1,11-dihydroporphyrin-21,23-diide
CID 58693025
(4Z,9Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,11-dihydroporphyrin-21,23-diide;platinum(2+)
CID 58693097
(5Z,10Z,14Z)-2,3,7,8,12,13,17,18-octaethyl-1,2,19,20-tetrahydroporphyrin-21,23-diide;platinum(2+)
CID 59582864
(2Z)-4-ethyl-2-[[4-ethyl-5-[[4-ethyl-2-[(Z)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]-3-methyl-2H-pyrrol-5-yl]methyl]-3-methyl-2H-pyrrol-2-yl]methylidene]-3,5-dimethylpyrrole
CID 11578335
Iron;2,3,7,8,12,13,17,18-octaethylporphyrin
CID 57404099
{2,3,7,8,12,13,17,18-Octaethyl-5-[(methylimino)methyl]porphyrinato-kappa^4^N^21^,N^22^,N^23^,N^24^}palladium(II)
CID 139062432
(10Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-1,5,6,20-tetrahydroporphyrin
CID 140932154

Frequently Asked Questions

What is the IUPAC name of (5Z,10Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-1,20-dihydroporphyrin;platinum?
The IUPAC name of (5Z,10Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-1,20-dihydroporphyrin;platinum (CID 168743762) is (5Z,10Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-1,20-dihydroporphyrin;platinum.
What is the SMILES notation for (5Z,10Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-1,20-dihydroporphyrin;platinum?
The canonical SMILES for (5Z,10Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-1,20-dihydroporphyrin;platinum is CCC1=C(CC)/C2=C/C3=N/C(=C\C4=NC(CC5=N/C(=C\C1=N2)C(CC)=C5CC)C(CC)=C4CC)C(CC)=C3CC.[Pt].
What is the InChIKey of (5Z,10Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-1,20-dihydroporphyrin;platinum?
The InChIKey is WKSIMRMZAXCQGB-NUJIRDDASA-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;/h17-19,34H,9-16,20H2,1-8H3;/b30-18-,31-17-,35-19-;.
What are the key properties of (5Z,10Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-1,20-dihydroporphyrin;platinum?
(5Z,10Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-1,20-dihydroporphyrin;platinum has a molecular weight of 729.87 g/mol, XLogP of 9.69, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,10Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-1,20-dihydroporphyrin;platinum is sourced from PubChem (CID 168743762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).