formaldehyde;2,3,7,8,12,13,17,18-octaethyl-21,22-dihydroporphyrin;ruthenium

C37H48N4ORu — CID 87387789

IUPACformaldehyde;2,3,7,8,12,13,17,18-octaethyl-21,22-dihydroporphyrin;ruthenium
SMILESC=O.CCC1=C(CC)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)C(CC)=C5CC)c(CC)c4CC)c(CC)c3CC.[Ru]
InChIInChI=1S/C36H46N4.CH2O.Ru/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;1-2;/h17-20,37-38H,9-16H2,1-8H3;1H2;/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;
InChIKeyHZQFZTSHPJKOOU-YAJYDHHFSA-N
MW665.89 g/mol
LogP9.84
Rot. Bonds8

About formaldehyde;2,3,7,8,12,13,17,18-octaethyl-21,22-dihydroporphyrin;ruthenium

formaldehyde;2,3,7,8,12,13,17,18-octaethyl-21,22-dihydroporphyrin;ruthenium (PubChem CID 87387789) has the molecular formula C37H48N4ORu and a molecular weight of 665.89 g/mol. Its IUPAC name is formaldehyde;2,3,7,8,12,13,17,18-octaethyl-21,22-dihydroporphyrin;ruthenium.

Molecular Properties

Compound Nameformaldehyde;2,3,7,8,12,13,17,18-octaethyl-21,22-dihydroporphyrin;ruthenium
PubChem CID87387789
Molecular FormulaC37H48N4ORu
Molecular Weight665.89 g/mol
Exact Mass666.29
IUPAC Nameformaldehyde;2,3,7,8,12,13,17,18-octaethyl-21,22-dihydroporphyrin;ruthenium
SMILESC=O.CCC1=C(CC)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)C(CC)=C5CC)c(CC)c4CC)c(CC)c3CC.[Ru]
InChIInChI=1S/C36H46N4.CH2O.Ru/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;1-2;/h17-20,37-38H,9-16H2,1-8H3;1H2;/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;
InChIKeyHZQFZTSHPJKOOU-YAJYDHHFSA-N
XLogP9.84
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.89
LogP ≤ 59.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;2,3,7,8,12,13,17,18-octaethyl-21,22-dihydroporphyrin;ruthenium?
The IUPAC name of formaldehyde;2,3,7,8,12,13,17,18-octaethyl-21,22-dihydroporphyrin;ruthenium (CID 87387789) is formaldehyde;2,3,7,8,12,13,17,18-octaethyl-21,22-dihydroporphyrin;ruthenium.
What is the SMILES notation for formaldehyde;2,3,7,8,12,13,17,18-octaethyl-21,22-dihydroporphyrin;ruthenium?
The canonical SMILES for formaldehyde;2,3,7,8,12,13,17,18-octaethyl-21,22-dihydroporphyrin;ruthenium is C=O.CCC1=C(CC)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)C(CC)=C5CC)c(CC)c4CC)c(CC)c3CC.[Ru].
What is the InChIKey of formaldehyde;2,3,7,8,12,13,17,18-octaethyl-21,22-dihydroporphyrin;ruthenium?
The InChIKey is HZQFZTSHPJKOOU-YAJYDHHFSA-N. The full InChI is InChI=1S/C36H46N4.CH2O.Ru/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;1-2;/h17-20,37-38H,9-16H2,1-8H3;1H2;/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;.
What are the key properties of formaldehyde;2,3,7,8,12,13,17,18-octaethyl-21,22-dihydroporphyrin;ruthenium?
formaldehyde;2,3,7,8,12,13,17,18-octaethyl-21,22-dihydroporphyrin;ruthenium has a molecular weight of 665.89 g/mol, XLogP of 9.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;2,3,7,8,12,13,17,18-octaethyl-21,22-dihydroporphyrin;ruthenium is sourced from PubChem (CID 87387789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).