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

C28H36N4 — CID 634396

IUPAC5,5,10,10,15,15,20,20-octamethyl-21,22,23,24-tetrahydroporphyrin
SMILESCC1(C)c2ccc([nH]2)C(C)(C)c2ccc([nH]2)C(C)(C)c2ccc([nH]2)C(C)(C)c2ccc1[nH]2
InChIInChI=1S/C28H36N4/c1-25(2)17-9-11-19(29-17)26(3,4)21-13-15-23(31-21)28(7,8)24-16-14-22(32-24)27(5,6)20-12-10-18(25)30-20/h9-16,29-32H,1-8H3
InChIKeyXZCHDFOYWDLFEY-UHFFFAOYSA-N
MW428.62 g/mol
LogP6.62
Rot. Bonds

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

5,5,10,10,15,15,20,20-octamethyl-21,22,23,24-tetrahydroporphyrin (PubChem CID 634396) has the molecular formula C28H36N4 and a molecular weight of 428.62 g/mol. Its IUPAC name is 5,5,10,10,15,15,20,20-octamethyl-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,5,10,10,15,15,20,20-octamethyl-21,22,23,24-tetrahydroporphyrin
PubChem CID634396
Molecular FormulaC28H36N4
Molecular Weight428.62 g/mol
Exact Mass428.29
IUPAC Name5,5,10,10,15,15,20,20-octamethyl-21,22,23,24-tetrahydroporphyrin
SMILESCC1(C)c2ccc([nH]2)C(C)(C)c2ccc([nH]2)C(C)(C)c2ccc([nH]2)C(C)(C)c2ccc1[nH]2
InChIInChI=1S/C28H36N4/c1-25(2)17-9-11-19(29-17)26(3,4)21-13-15-23(31-21)28(7,8)24-16-14-22(32-24)27(5,6)20-12-10-18(25)30-20/h9-16,29-32H,1-8H3
InChIKeyXZCHDFOYWDLFEY-UHFFFAOYSA-N
XLogP6.62
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.62
LogP ≤ 56.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,5,10,10,15,15,20,20-octamethyl-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,5,10,10,15,15,20,20-octamethyl-21,22,23,24-tetrahydroporphyrin (CID 634396) is 5,5,10,10,15,15,20,20-octamethyl-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,5,10,10,15,15,20,20-octamethyl-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,5,10,10,15,15,20,20-octamethyl-21,22,23,24-tetrahydroporphyrin is CC1(C)c2ccc([nH]2)C(C)(C)c2ccc([nH]2)C(C)(C)c2ccc([nH]2)C(C)(C)c2ccc1[nH]2.
What is the InChIKey of 5,5,10,10,15,15,20,20-octamethyl-21,22,23,24-tetrahydroporphyrin?
The InChIKey is XZCHDFOYWDLFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4/c1-25(2)17-9-11-19(29-17)26(3,4)21-13-15-23(31-21)28(7,8)24-16-14-22(32-24)27(5,6)20-12-10-18(25)30-20/h9-16,29-32H,1-8H3.
What are the key properties of 5,5,10,10,15,15,20,20-octamethyl-21,22,23,24-tetrahydroporphyrin?
5,5,10,10,15,15,20,20-octamethyl-21,22,23,24-tetrahydroporphyrin has a molecular weight of 428.62 g/mol, XLogP of 6.62, 0 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-octamethyl-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 634396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).