2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin

C32H44N4 — CID 15558479

IUPAC2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin
SMILESCCc1c2[nH]c(c1C)Cc1[nH]c(c(C)c1CC)Cc1[nH]c(c(C)c1CC)Cc1[nH]c(c(C)c1CC)C2
InChIInChI=1S/C32H44N4/c1-9-21-17(5)25-14-30-23(11-3)19(7)27(35-30)16-32-24(12-4)20(8)28(36-32)15-31-22(10-2)18(6)26(34-31)13-29(21)33-25/h33-36H,9-16H2,1-8H3
InChIKeyHZTUWFMYXOMBJC-UHFFFAOYSA-N
MW484.73 g/mol
LogP7.16
Rot. Bonds4

About 2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin

2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin (PubChem CID 15558479) has the molecular formula C32H44N4 and a molecular weight of 484.73 g/mol. Its IUPAC name is 2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin.

Molecular Properties

Compound Name2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin
PubChem CID15558479
Molecular FormulaC32H44N4
Molecular Weight484.73 g/mol
Exact Mass484.36
IUPAC Name2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin
SMILESCCc1c2[nH]c(c1C)Cc1[nH]c(c(C)c1CC)Cc1[nH]c(c(C)c1CC)Cc1[nH]c(c(C)c1CC)C2
InChIInChI=1S/C32H44N4/c1-9-21-17(5)25-14-30-23(11-3)19(7)27(35-30)16-32-24(12-4)20(8)28(36-32)15-31-22(10-2)18(6)26(34-31)13-29(21)33-25/h33-36H,9-16H2,1-8H3
InChIKeyHZTUWFMYXOMBJC-UHFFFAOYSA-N
XLogP7.16
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 ≤ 57.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin?
The IUPAC name of 2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin (CID 15558479) is 2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin.
What is the SMILES notation for 2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin?
The canonical SMILES for 2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin is CCc1c2[nH]c(c1C)Cc1[nH]c(c(C)c1CC)Cc1[nH]c(c(C)c1CC)Cc1[nH]c(c(C)c1CC)C2.
What is the InChIKey of 2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin?
The InChIKey is HZTUWFMYXOMBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N4/c1-9-21-17(5)25-14-30-23(11-3)19(7)27(35-30)16-32-24(12-4)20(8)28(36-32)15-31-22(10-2)18(6)26(34-31)13-29(21)33-25/h33-36H,9-16H2,1-8H3.
What are the key properties of 2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin?
2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin has a molecular weight of 484.73 g/mol, XLogP of 7.16, 4 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin is sourced from PubChem (CID 15558479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).