23,24-dihydro-21H-porphyrin-5-one

C20H14N4O — CID 66692742

IUPAC23,24-dihydro-21H-porphyrin-5-one
SMILESO=c1c2nc(cc3ccc(cc4ccc(cc5ccc1[nH]5)[nH]4)[nH]3)C=C2
InChIInChI=1S/C20H14N4O/c25-20-18-7-5-16(23-18)10-14-3-1-12(21-14)9-13-2-4-15(22-13)11-17-6-8-19(20)24-17/h1-11,21-23H/b12-9-,14-10-,17-11-
InChIKeyKZCPSWABTWQLQN-UXPYOLNKSA-N
MW326.36 g/mol
LogP4.06
Rot. Bonds

About 23,24-dihydro-21H-porphyrin-5-one

23,24-dihydro-21H-porphyrin-5-one (PubChem CID 66692742) has the molecular formula C20H14N4O and a molecular weight of 326.36 g/mol. Its IUPAC name is 23,24-dihydro-21H-porphyrin-5-one.

Molecular Properties

Compound Name23,24-dihydro-21H-porphyrin-5-one
PubChem CID66692742
Molecular FormulaC20H14N4O
Molecular Weight326.36 g/mol
Exact Mass326.12
IUPAC Name23,24-dihydro-21H-porphyrin-5-one
SMILESO=c1c2nc(cc3ccc(cc4ccc(cc5ccc1[nH]5)[nH]4)[nH]3)C=C2
InChIInChI=1S/C20H14N4O/c25-20-18-7-5-16(23-18)10-14-3-1-12(21-14)9-13-2-4-15(22-13)11-17-6-8-19(20)24-17/h1-11,21-23H/b12-9-,14-10-,17-11-
InChIKeyKZCPSWABTWQLQN-UXPYOLNKSA-N
XLogP4.06
TPSA77.33 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

10-iodo-21,22-dihydroporphyrin
CID 173057969
22,23-dihydro-21H-corrin;5,10,15,20,21,22,23,24-octahydroporphyrin
CID 158967955
15-methyl-21,22-dihydroporphyrin
CID 58018116
10-nitro-21,22-dihydroporphyrin
CID 173125682
10,20-dimethyl-21,22-dihydroporphyrin
CID 173103171
5-[4-[4-(21,23-dihydroporphyrin-5-yl)phenyl]phenyl]-21,23-dihydroporphyrin
CID 136749783
tris(23,24-dihydroporphyrin-5-sulfonate);iron(3+)
CID 173451966
23,24-dihydroporphyrin-5-carboxylic acid
CID 68520864
zinc 21,22-dihydroporphyrin
CID 21123910
CID 175757831
CID 175757831
2-(21,24-dihydroporphyrin-5-ylmethylidene)propanedioic acid
CID 173483678
21,23-dihydroporphyrin;trihydrochloride
CID 172691359

Frequently Asked Questions

What is the IUPAC name of 23,24-dihydro-21H-porphyrin-5-one?
The IUPAC name of 23,24-dihydro-21H-porphyrin-5-one (CID 66692742) is 23,24-dihydro-21H-porphyrin-5-one.
What is the SMILES notation for 23,24-dihydro-21H-porphyrin-5-one?
The canonical SMILES for 23,24-dihydro-21H-porphyrin-5-one is O=c1c2nc(cc3ccc(cc4ccc(cc5ccc1[nH]5)[nH]4)[nH]3)C=C2.
What is the InChIKey of 23,24-dihydro-21H-porphyrin-5-one?
The InChIKey is KZCPSWABTWQLQN-UXPYOLNKSA-N. The full InChI is InChI=1S/C20H14N4O/c25-20-18-7-5-16(23-18)10-14-3-1-12(21-14)9-13-2-4-15(22-13)11-17-6-8-19(20)24-17/h1-11,21-23H/b12-9-,14-10-,17-11-.
What are the key properties of 23,24-dihydro-21H-porphyrin-5-one?
23,24-dihydro-21H-porphyrin-5-one has a molecular weight of 326.36 g/mol, XLogP of 4.06, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 23,24-dihydro-21H-porphyrin-5-one is sourced from PubChem (CID 66692742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).