(1R,4S,6R,9S,11R,14S,16R,19S)-5,5,10,10,15,15,20,20-octamethyl-1,2,3,4,6,7,8,9,11,12,13,14,16,17,18,19,21,22,23,24-icosahydroporphyrin

C28H52N4 — CID 57382579

IUPAC(1R,4S,6R,9S,11R,14S,16R,19S)-5,5,10,10,15,15,20,20-octamethyl-1,2,3,4,6,7,8,9,11,12,13,14,16,17,18,19,21,22,23,24-icosahydroporphyrin
SMILESCC1(C)[C@@H]2CC[C@@H](N2)C(C)(C)[C@@H]2CC[C@@H](N2)C(C)(C)[C@@H]2CC[C@@H](N2)C(C)(C)[C@@H]2CC[C@H]1N2
InChIInChI=1S/C28H52N4/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/h17-24,29-32H,9-16H2,1-8H3/t17-,18+,19+,20-,21-,22+,23+,24-
InChIKeyGRJMASHDKHWJBU-VKFXDHOHSA-N
MW444.75 g/mol
LogP4.59
Rot. Bonds

About (1R,4S,6R,9S,11R,14S,16R,19S)-5,5,10,10,15,15,20,20-octamethyl-1,2,3,4,6,7,8,9,11,12,13,14,16,17,18,19,21,22,23,24-icosahydroporphyrin

(1R,4S,6R,9S,11R,14S,16R,19S)-5,5,10,10,15,15,20,20-octamethyl-1,2,3,4,6,7,8,9,11,12,13,14,16,17,18,19,21,22,23,24-icosahydroporphyrin (PubChem CID 57382579) has the molecular formula C28H52N4 and a molecular weight of 444.75 g/mol. Its IUPAC name is (1R,4S,6R,9S,11R,14S,16R,19S)-5,5,10,10,15,15,20,20-octamethyl-1,2,3,4,6,7,8,9,11,12,13,14,16,17,18,19,21,22,23,24-icosahydroporphyrin.

Molecular Properties

Compound Name(1R,4S,6R,9S,11R,14S,16R,19S)-5,5,10,10,15,15,20,20-octamethyl-1,2,3,4,6,7,8,9,11,12,13,14,16,17,18,19,21,22,23,24-icosahydroporphyrin
PubChem CID57382579
Molecular FormulaC28H52N4
Molecular Weight444.75 g/mol
Exact Mass444.42
IUPAC Name(1R,4S,6R,9S,11R,14S,16R,19S)-5,5,10,10,15,15,20,20-octamethyl-1,2,3,4,6,7,8,9,11,12,13,14,16,17,18,19,21,22,23,24-icosahydroporphyrin
SMILESCC1(C)[C@@H]2CC[C@@H](N2)C(C)(C)[C@@H]2CC[C@@H](N2)C(C)(C)[C@@H]2CC[C@@H](N2)C(C)(C)[C@@H]2CC[C@H]1N2
InChIInChI=1S/C28H52N4/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/h17-24,29-32H,9-16H2,1-8H3/t17-,18+,19+,20-,21-,22+,23+,24-
InChIKeyGRJMASHDKHWJBU-VKFXDHOHSA-N
XLogP4.59
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.75
LogP ≤ 54.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (1R,4S,6R,9S,11R,14S,16R,19S)-5,5,10,10,15,15,20,20-octamethyl-1,2,3,4,6,7,8,9,11,12,13,14,16,17,18,19,21,22,23,24-icosahydroporphyrin with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,6R,9S,11R,14S,16R,19S)-5,5,10,10,15,15,20,20-octamethyl-1,2,3,4,6,7,8,9,11,12,13,14,16,17,18,19,21,22,23,24-icosahydroporphyrin?
The IUPAC name of (1R,4S,6R,9S,11R,14S,16R,19S)-5,5,10,10,15,15,20,20-octamethyl-1,2,3,4,6,7,8,9,11,12,13,14,16,17,18,19,21,22,23,24-icosahydroporphyrin (CID 57382579) is (1R,4S,6R,9S,11R,14S,16R,19S)-5,5,10,10,15,15,20,20-octamethyl-1,2,3,4,6,7,8,9,11,12,13,14,16,17,18,19,21,22,23,24-icosahydroporphyrin.
What is the SMILES notation for (1R,4S,6R,9S,11R,14S,16R,19S)-5,5,10,10,15,15,20,20-octamethyl-1,2,3,4,6,7,8,9,11,12,13,14,16,17,18,19,21,22,23,24-icosahydroporphyrin?
The canonical SMILES for (1R,4S,6R,9S,11R,14S,16R,19S)-5,5,10,10,15,15,20,20-octamethyl-1,2,3,4,6,7,8,9,11,12,13,14,16,17,18,19,21,22,23,24-icosahydroporphyrin is CC1(C)[C@@H]2CC[C@@H](N2)C(C)(C)[C@@H]2CC[C@@H](N2)C(C)(C)[C@@H]2CC[C@@H](N2)C(C)(C)[C@@H]2CC[C@H]1N2.
What is the InChIKey of (1R,4S,6R,9S,11R,14S,16R,19S)-5,5,10,10,15,15,20,20-octamethyl-1,2,3,4,6,7,8,9,11,12,13,14,16,17,18,19,21,22,23,24-icosahydroporphyrin?
The InChIKey is GRJMASHDKHWJBU-VKFXDHOHSA-N. The full InChI is InChI=1S/C28H52N4/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/h17-24,29-32H,9-16H2,1-8H3/t17-,18+,19+,20-,21-,22+,23+,24-.
What are the key properties of (1R,4S,6R,9S,11R,14S,16R,19S)-5,5,10,10,15,15,20,20-octamethyl-1,2,3,4,6,7,8,9,11,12,13,14,16,17,18,19,21,22,23,24-icosahydroporphyrin?
(1R,4S,6R,9S,11R,14S,16R,19S)-5,5,10,10,15,15,20,20-octamethyl-1,2,3,4,6,7,8,9,11,12,13,14,16,17,18,19,21,22,23,24-icosahydroporphyrin has a molecular weight of 444.75 g/mol, XLogP of 4.59, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,6R,9S,11R,14S,16R,19S)-5,5,10,10,15,15,20,20-octamethyl-1,2,3,4,6,7,8,9,11,12,13,14,16,17,18,19,21,22,23,24-icosahydroporphyrin is sourced from PubChem (CID 57382579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).