5,5,10,10,15,15,20,20-octaethyl-21,22,23,24-tetrahydroporphyrin

C36H52N4 — CID 10887480

IUPAC5,5,10,10,15,15,20,20-octaethyl-21,22,23,24-tetrahydroporphyrin
SMILESCCC1(CC)c2ccc([nH]2)C(CC)(CC)c2ccc([nH]2)C(CC)(CC)c2ccc([nH]2)C(CC)(CC)c2ccc1[nH]2
InChIInChI=1S/C36H52N4/c1-9-33(10-2)25-17-19-27(37-25)34(11-3,12-4)29-21-23-31(39-29)36(15-7,16-8)32-24-22-30(40-32)35(13-5,14-6)28-20-18-26(33)38-28/h17-24,37-40H,9-16H2,1-8H3
InChIKeyPLXCTDHLMJGGSN-UHFFFAOYSA-N
MW540.84 g/mol
LogP9.74
Rot. Bonds8

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

5,5,10,10,15,15,20,20-octaethyl-21,22,23,24-tetrahydroporphyrin (PubChem CID 10887480) has the molecular formula C36H52N4 and a molecular weight of 540.84 g/mol. Its IUPAC name is 5,5,10,10,15,15,20,20-octaethyl-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,5,10,10,15,15,20,20-octaethyl-21,22,23,24-tetrahydroporphyrin
PubChem CID10887480
Molecular FormulaC36H52N4
Molecular Weight540.84 g/mol
Exact Mass540.42
IUPAC Name5,5,10,10,15,15,20,20-octaethyl-21,22,23,24-tetrahydroporphyrin
SMILESCCC1(CC)c2ccc([nH]2)C(CC)(CC)c2ccc([nH]2)C(CC)(CC)c2ccc([nH]2)C(CC)(CC)c2ccc1[nH]2
InChIInChI=1S/C36H52N4/c1-9-33(10-2)25-17-19-27(37-25)34(11-3,12-4)29-21-23-31(39-29)36(15-7,16-8)32-24-22-30(40-32)35(13-5,14-6)28-20-18-26(33)38-28/h17-24,37-40H,9-16H2,1-8H3
InChIKeyPLXCTDHLMJGGSN-UHFFFAOYSA-N
XLogP9.74
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.84
LogP ≤ 59.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

Analyze 5,5,10,10,15,15,20,20-octaethyl-21,22,23,24-tetrahydroporphyrin with MolForge

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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 5,5,10,10,15,15,20,20-octaethyl-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,5,10,10,15,15,20,20-octaethyl-21,22,23,24-tetrahydroporphyrin (CID 10887480) is 5,5,10,10,15,15,20,20-octaethyl-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,5,10,10,15,15,20,20-octaethyl-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,5,10,10,15,15,20,20-octaethyl-21,22,23,24-tetrahydroporphyrin is CCC1(CC)c2ccc([nH]2)C(CC)(CC)c2ccc([nH]2)C(CC)(CC)c2ccc([nH]2)C(CC)(CC)c2ccc1[nH]2.
What is the InChIKey of 5,5,10,10,15,15,20,20-octaethyl-21,22,23,24-tetrahydroporphyrin?
The InChIKey is PLXCTDHLMJGGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H52N4/c1-9-33(10-2)25-17-19-27(37-25)34(11-3,12-4)29-21-23-31(39-29)36(15-7,16-8)32-24-22-30(40-32)35(13-5,14-6)28-20-18-26(33)38-28/h17-24,37-40H,9-16H2,1-8H3.
What are the key properties of 5,5,10,10,15,15,20,20-octaethyl-21,22,23,24-tetrahydroporphyrin?
5,5,10,10,15,15,20,20-octaethyl-21,22,23,24-tetrahydroporphyrin has a molecular weight of 540.84 g/mol, XLogP of 9.74, 8 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,10,10,15,15,20,20-octaethyl-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 10887480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).