21,22,23,24-tetrahydro-5H-corrin

C19H16N4 — CID 57084307

IUPAC21,22,23,24-tetrahydro-5H-corrin
SMILESC1=c2ccc([nH]2)=Cc2ccc([nH]2)-c2ccc([nH]2)Cc2ccc1[nH]2
InChIInChI=1S/C19H16N4/c1-3-14-10-16-5-7-18(22-16)19-8-6-17(23-19)11-15-4-2-13(21-15)9-12(1)20-14/h1-10,20-23H,11H2
InChIKeyVYXNBFYWUPUAHY-UHFFFAOYSA-N
MW300.37 g/mol
LogP2.23
Rot. Bonds

About 21,22,23,24-tetrahydro-5H-corrin

21,22,23,24-tetrahydro-5H-corrin (PubChem CID 57084307) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 21,22,23,24-tetrahydro-5H-corrin.

Molecular Properties

Compound Name21,22,23,24-tetrahydro-5H-corrin
PubChem CID57084307
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name21,22,23,24-tetrahydro-5H-corrin
SMILESC1=c2ccc([nH]2)=Cc2ccc([nH]2)-c2ccc([nH]2)Cc2ccc1[nH]2
InChIInChI=1S/C19H16N4/c1-3-14-10-16-5-7-18(22-16)19-8-6-17(23-19)11-15-4-2-13(21-15)9-12(1)20-14/h1-10,20-23H,11H2
InChIKeyVYXNBFYWUPUAHY-UHFFFAOYSA-N
XLogP2.23
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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Related Compounds

Porphyrin
CID 66868
21,22,23,24-Tetraazapentacyclo(16.2.1.1(2,5).1(8,11).1(12,15))tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene, 4,9,14,19-tetrapropyl-
CID 130573
meso-Octamethylcalix(4)pyrrole
CID 634396
Phlorin
CID 20055371
Tolyporphin P
CID 141334060
Chlorin
CID 65106
Porphyrinogen
CID 9548659
Meso-decamethylcalix[5]pyrrole
CID 12964119
21H,22H-Porphine
CID 137705241
5-Phenyl-21,22-dihydroporphyrin
CID 137628940
Porphycene
CID 127650
Copper porphyrin
CID 57423943

Frequently Asked Questions

What is the IUPAC name of 21,22,23,24-tetrahydro-5H-corrin?
The IUPAC name of 21,22,23,24-tetrahydro-5H-corrin (CID 57084307) is 21,22,23,24-tetrahydro-5H-corrin.
What is the SMILES notation for 21,22,23,24-tetrahydro-5H-corrin?
The canonical SMILES for 21,22,23,24-tetrahydro-5H-corrin is C1=c2ccc([nH]2)=Cc2ccc([nH]2)-c2ccc([nH]2)Cc2ccc1[nH]2.
What is the InChIKey of 21,22,23,24-tetrahydro-5H-corrin?
The InChIKey is VYXNBFYWUPUAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-3-14-10-16-5-7-18(22-16)19-8-6-17(23-19)11-15-4-2-13(21-15)9-12(1)20-14/h1-10,20-23H,11H2.
What are the key properties of 21,22,23,24-tetrahydro-5H-corrin?
21,22,23,24-tetrahydro-5H-corrin has a molecular weight of 300.37 g/mol, XLogP of 2.23, 0 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 21,22,23,24-tetrahydro-5H-corrin is sourced from PubChem (CID 57084307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).