15-methyl-21,22-dihydroporphyrin

C21H16N4 — CID 58018116

IUPAC15-methyl-21,22-dihydroporphyrin
SMILESCc1c2nc(cc3ccc(cc4ccc(cc5nc1C=C5)[nH]4)[nH]3)C=C2
InChIInChI=1S/C21H16N4/c1-13-20-8-6-18(24-20)11-16-4-2-14(22-16)10-15-3-5-17(23-15)12-19-7-9-21(13)25-19/h2-12,22-23H,1H3/b14-10-,15-10-,16-11-,17-12-,18-11-,19-12-,20-13-,21-13-
InChIKeyACGXAQGSMUFHOV-GFSJTGSSSA-N
MW324.39 g/mol
LogP4.96
Rot. Bonds

About 15-methyl-21,22-dihydroporphyrin

15-methyl-21,22-dihydroporphyrin (PubChem CID 58018116) has the molecular formula C21H16N4 and a molecular weight of 324.39 g/mol. Its IUPAC name is 15-methyl-21,22-dihydroporphyrin.

Molecular Properties

Compound Name15-methyl-21,22-dihydroporphyrin
PubChem CID58018116
Molecular FormulaC21H16N4
Molecular Weight324.39 g/mol
Exact Mass324.14
IUPAC Name15-methyl-21,22-dihydroporphyrin
SMILESCc1c2nc(cc3ccc(cc4ccc(cc5nc1C=C5)[nH]4)[nH]3)C=C2
InChIInChI=1S/C21H16N4/c1-13-20-8-6-18(24-20)11-16-4-2-14(22-16)10-15-3-5-17(23-15)12-19-7-9-21(13)25-19/h2-12,22-23H,1H3/b14-10-,15-10-,16-11-,17-12-,18-11-,19-12-,20-13-,21-13-
InChIKeyACGXAQGSMUFHOV-GFSJTGSSSA-N
XLogP4.96
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

10,20-dimethyl-21,22-dihydroporphyrin
CID 173103171
zinc 21,22-dihydroporphyrin
CID 21123910
CID 175757831
CID 175757831
21,23-dihydroporphyrin;trihydrochloride
CID 172691359
dizinc;21,22-dihydroporphyrin;tetraiodide
CID 173436903
azane;21,22-dihydroporphyrin;iron
CID 175545548
21,22-dihydroporphyrin;ethene
CID 158658158
bis(21,22-dihydroporphyrin);nickel;vanadium
CID 175299729
disodium;21,22-dihydroporphyrin;hydride
CID 174339672
azanide;cobalt(2+);21,22-dihydroporphyrin
CID 175060320
azane;21,22-dihydroporphyrin;zinc
CID 175189190
15-(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin
CID 87223588

Frequently Asked Questions

What is the IUPAC name of 15-methyl-21,22-dihydroporphyrin?
The IUPAC name of 15-methyl-21,22-dihydroporphyrin (CID 58018116) is 15-methyl-21,22-dihydroporphyrin.
What is the SMILES notation for 15-methyl-21,22-dihydroporphyrin?
The canonical SMILES for 15-methyl-21,22-dihydroporphyrin is Cc1c2nc(cc3ccc(cc4ccc(cc5nc1C=C5)[nH]4)[nH]3)C=C2.
What is the InChIKey of 15-methyl-21,22-dihydroporphyrin?
The InChIKey is ACGXAQGSMUFHOV-GFSJTGSSSA-N. The full InChI is InChI=1S/C21H16N4/c1-13-20-8-6-18(24-20)11-16-4-2-14(22-16)10-15-3-5-17(23-15)12-19-7-9-21(13)25-19/h2-12,22-23H,1H3/b14-10-,15-10-,16-11-,17-12-,18-11-,19-12-,20-13-,21-13-.
What are the key properties of 15-methyl-21,22-dihydroporphyrin?
15-methyl-21,22-dihydroporphyrin has a molecular weight of 324.39 g/mol, XLogP of 4.96, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-21,22-dihydroporphyrin is sourced from PubChem (CID 58018116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).