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

C40H60N4 — CID 25107927

IUPAC5,10,15,20-tetratert-butyl-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin
SMILESCC(C)(C)C1(C)c2ccc([nH]2)C(C)(C(C)(C)C)c2ccc([nH]2)C(C)(C(C)(C)C)c2ccc([nH]2)C(C)(C(C)(C)C)c2ccc1[nH]2
InChIInChI=1S/C40H60N4/c1-33(2,3)37(13)25-17-19-27(41-25)38(14,34(4,5)6)29-21-23-31(43-29)40(16,36(10,11)12)32-24-22-30(44-32)39(15,35(7,8)9)28-20-18-26(37)42-28/h17-24,41-44H,1-16H3
InChIKeyMJXHFLLWNIMADG-UHFFFAOYSA-N
MW596.95 g/mol
LogP10.72
Rot. Bonds

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

5,10,15,20-tetratert-butyl-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin (PubChem CID 25107927) has the molecular formula C40H60N4 and a molecular weight of 596.95 g/mol. Its IUPAC name is 5,10,15,20-tetratert-butyl-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetratert-butyl-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin
PubChem CID25107927
Molecular FormulaC40H60N4
Molecular Weight596.95 g/mol
Exact Mass596.48
IUPAC Name5,10,15,20-tetratert-butyl-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin
SMILESCC(C)(C)C1(C)c2ccc([nH]2)C(C)(C(C)(C)C)c2ccc([nH]2)C(C)(C(C)(C)C)c2ccc([nH]2)C(C)(C(C)(C)C)c2ccc1[nH]2
InChIInChI=1S/C40H60N4/c1-33(2,3)37(13)25-17-19-27(41-25)38(14,34(4,5)6)29-21-23-31(43-29)40(16,36(10,11)12)32-24-22-30(44-32)39(15,35(7,8)9)28-20-18-26(37)42-28/h17-24,41-44H,1-16H3
InChIKeyMJXHFLLWNIMADG-UHFFFAOYSA-N
XLogP10.72
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.95
LogP ≤ 510.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetratert-butyl-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,10,15,20-tetratert-butyl-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin (CID 25107927) is 5,10,15,20-tetratert-butyl-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetratert-butyl-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,10,15,20-tetratert-butyl-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin is CC(C)(C)C1(C)c2ccc([nH]2)C(C)(C(C)(C)C)c2ccc([nH]2)C(C)(C(C)(C)C)c2ccc([nH]2)C(C)(C(C)(C)C)c2ccc1[nH]2.
What is the InChIKey of 5,10,15,20-tetratert-butyl-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin?
The InChIKey is MJXHFLLWNIMADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H60N4/c1-33(2,3)37(13)25-17-19-27(41-25)38(14,34(4,5)6)29-21-23-31(43-29)40(16,36(10,11)12)32-24-22-30(44-32)39(15,35(7,8)9)28-20-18-26(37)42-28/h17-24,41-44H,1-16H3.
What are the key properties of 5,10,15,20-tetratert-butyl-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin?
5,10,15,20-tetratert-butyl-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin has a molecular weight of 596.95 g/mol, XLogP of 10.72, 0 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetratert-butyl-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 25107927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).