5,10,15,20-tetraethyl-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin

C32H44N4 — CID 15449887

IUPAC5,10,15,20-tetraethyl-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin
SMILESCCC1(C)c2ccc([nH]2)C(C)(CC)c2ccc([nH]2)C(C)(CC)c2ccc([nH]2)C(C)(CC)c2ccc1[nH]2
InChIInChI=1S/C32H44N4/c1-9-29(5)21-13-15-23(33-21)30(6,10-2)25-17-19-27(35-25)32(8,12-4)28-20-18-26(36-28)31(7,11-3)24-16-14-22(29)34-24/h13-20,33-36H,9-12H2,1-8H3
InChIKeyKBVYNSSGYKYINE-UHFFFAOYSA-N
MW484.73 g/mol
LogP8.18
Rot. Bonds4

About 5,10,15,20-tetraethyl-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin

5,10,15,20-tetraethyl-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin (PubChem CID 15449887) has the molecular formula C32H44N4 and a molecular weight of 484.73 g/mol. Its IUPAC name is 5,10,15,20-tetraethyl-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetraethyl-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin
PubChem CID15449887
Molecular FormulaC32H44N4
Molecular Weight484.73 g/mol
Exact Mass484.36
IUPAC Name5,10,15,20-tetraethyl-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin
SMILESCCC1(C)c2ccc([nH]2)C(C)(CC)c2ccc([nH]2)C(C)(CC)c2ccc([nH]2)C(C)(CC)c2ccc1[nH]2
InChIInChI=1S/C32H44N4/c1-9-29(5)21-13-15-23(33-21)30(6,10-2)25-17-19-27(35-25)32(8,12-4)28-20-18-26(36-28)31(7,11-3)24-16-14-22(29)34-24/h13-20,33-36H,9-12H2,1-8H3
InChIKeyKBVYNSSGYKYINE-UHFFFAOYSA-N
XLogP8.18
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.73
LogP ≤ 58.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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Related Compounds

Porphyrin
CID 66868
5,15-Diphenyl-21H,23H-porphine
CID 10895852
5,10,15,20-Tetraphenyl-21,22-dihydroporphyrin
CID 70186
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
5,15-Diphenyl-2,3,22,24-tetrahydroporphyrin
CID 11719635
5,10,15,20-Tetrakis(4-aminophenyl)-21H,23H-porphine
CID 135411734
Tetraphenylporphyrin
CID 86280046
5,10,15,20-Tetrakis(p-tolyl)porphyrin
CID 135401992
Tetrakis(o-aminophenyl)porphyrin
CID 135431066
meso-Octamethylcalix(4)pyrrole
CID 634396
Phlorin
CID 20055371
Tetrapentylporphyrin
CID 382954

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetraethyl-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,10,15,20-tetraethyl-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin (CID 15449887) is 5,10,15,20-tetraethyl-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetraethyl-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,10,15,20-tetraethyl-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin is CCC1(C)c2ccc([nH]2)C(C)(CC)c2ccc([nH]2)C(C)(CC)c2ccc([nH]2)C(C)(CC)c2ccc1[nH]2.
What is the InChIKey of 5,10,15,20-tetraethyl-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin?
The InChIKey is KBVYNSSGYKYINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N4/c1-9-29(5)21-13-15-23(33-21)30(6,10-2)25-17-19-27(35-25)32(8,12-4)28-20-18-26(36-28)31(7,11-3)24-16-14-22(29)34-24/h13-20,33-36H,9-12H2,1-8H3.
What are the key properties of 5,10,15,20-tetraethyl-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin?
5,10,15,20-tetraethyl-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin has a molecular weight of 484.73 g/mol, XLogP of 8.18, 4 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetraethyl-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 15449887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).