10,20-dimethyl-21,22-dihydroporphyrin

C22H18N4 — CID 173103171

IUPAC10,20-dimethyl-21,22-dihydroporphyrin
SMILESCc1c2nc(cc3nc(c(C)c4ccc(cc5ccc1[nH]5)[nH]4)C=C3)C=C2
InChIInChI=1S/C22H18N4/c1-13-19-7-3-15(23-19)11-17-5-9-21(25-17)14(2)22-10-6-18(26-22)12-16-4-8-20(13)24-16/h3-12,23,25H,1-2H3/b15-11-,16-12-,17-11-,18-12-,19-13-,20-13-,21-14-,22-14-
InChIKeyLVGRFDWNHCUPQU-UTLFQDONSA-N
MW338.41 g/mol
LogP5.27
Rot. Bonds

About 10,20-dimethyl-21,22-dihydroporphyrin

10,20-dimethyl-21,22-dihydroporphyrin (PubChem CID 173103171) has the molecular formula C22H18N4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 10,20-dimethyl-21,22-dihydroporphyrin.

Molecular Properties

Compound Name10,20-dimethyl-21,22-dihydroporphyrin
PubChem CID173103171
Molecular FormulaC22H18N4
Molecular Weight338.41 g/mol
Exact Mass338.15
IUPAC Name10,20-dimethyl-21,22-dihydroporphyrin
SMILESCc1c2nc(cc3nc(c(C)c4ccc(cc5ccc1[nH]5)[nH]4)C=C3)C=C2
InChIInChI=1S/C22H18N4/c1-13-19-7-3-15(23-19)11-17-5-9-21(25-17)14(2)22-10-6-18(26-22)12-16-4-8-20(13)24-16/h3-12,23,25H,1-2H3/b15-11-,16-12-,17-11-,18-12-,19-13-,20-13-,21-14-,22-14-
InChIKeyLVGRFDWNHCUPQU-UTLFQDONSA-N
XLogP5.27
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

15-methyl-21,22-dihydroporphyrin
CID 58018116
copper;10,20-diphenyl-21,22-dihydroporphyrin
CID 175704794
10-iodo-21,22-dihydroporphyrin
CID 173057969
23,24-dihydro-21H-porphyrin-5-one
CID 66692742
5,15-bis(2,6-dimethylphenyl)-21,22-dihydroporphyrin
CID 163359228
5-(4-methylphenyl)-21,23-dihydroporphyrin;trihydroiodide
CID 174453543
22,23-dihydro-21H-corrin;5,10,15,20,21,22,23,24-octahydroporphyrin
CID 158967955
5,15-bis(3-methoxyphenyl)-21,22-dihydroporphyrin
CID 11642161
10-(5-bromopentyl)-21,22-dihydroporphyrin
CID 163539540
10-nitro-21,22-dihydroporphyrin
CID 173125682
5-bromo-21,22-dihydroporphyrin
CID 152743455
10-[4-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)phenyl]-5,15-diphenyl-21,23-dihydroporphyrin
CID 101442381

Frequently Asked Questions

What is the IUPAC name of 10,20-dimethyl-21,22-dihydroporphyrin?
The IUPAC name of 10,20-dimethyl-21,22-dihydroporphyrin (CID 173103171) is 10,20-dimethyl-21,22-dihydroporphyrin.
What is the SMILES notation for 10,20-dimethyl-21,22-dihydroporphyrin?
The canonical SMILES for 10,20-dimethyl-21,22-dihydroporphyrin is Cc1c2nc(cc3nc(c(C)c4ccc(cc5ccc1[nH]5)[nH]4)C=C3)C=C2.
What is the InChIKey of 10,20-dimethyl-21,22-dihydroporphyrin?
The InChIKey is LVGRFDWNHCUPQU-UTLFQDONSA-N. The full InChI is InChI=1S/C22H18N4/c1-13-19-7-3-15(23-19)11-17-5-9-21(25-17)14(2)22-10-6-18(26-22)12-16-4-8-20(13)24-16/h3-12,23,25H,1-2H3/b15-11-,16-12-,17-11-,18-12-,19-13-,20-13-,21-14-,22-14-.
What are the key properties of 10,20-dimethyl-21,22-dihydroporphyrin?
10,20-dimethyl-21,22-dihydroporphyrin has a molecular weight of 338.41 g/mol, XLogP of 5.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,20-dimethyl-21,22-dihydroporphyrin is sourced from PubChem (CID 173103171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).