2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin

C32H60N4 — CID 126620902

IUPAC2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin
SMILESCCC1C2CC3NC(CC4NC(CC5NC(CC(N2)C1C)C(C)C5CC)C(CC)C4C)C(C)C3CC
InChIInChI=1S/C32H60N4/c1-9-21-17(5)25-13-26-19(7)23(11-3)31(35-26)16-32-24(12-4)20(8)28(36-32)14-27-18(6)22(10-2)30(34-27)15-29(21)33-25/h17-36H,9-16H2,1-8H3
InChIKeyPWEQGQRWRJCGBP-UHFFFAOYSA-N
MW500.86 g/mol
LogP5.57
Rot. Bonds4

About 2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin

2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin (PubChem CID 126620902) has the molecular formula C32H60N4 and a molecular weight of 500.86 g/mol. Its IUPAC name is 2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin.

Molecular Properties

Compound Name2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin
PubChem CID126620902
Molecular FormulaC32H60N4
Molecular Weight500.86 g/mol
Exact Mass500.48
IUPAC Name2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin
SMILESCCC1C2CC3NC(CC4NC(CC5NC(CC(N2)C1C)C(C)C5CC)C(CC)C4C)C(C)C3CC
InChIInChI=1S/C32H60N4/c1-9-21-17(5)25-13-26-19(7)23(11-3)31(35-26)16-32-24(12-4)20(8)28(36-32)14-27-18(6)22(10-2)30(34-27)15-29(21)33-25/h17-36H,9-16H2,1-8H3
InChIKeyPWEQGQRWRJCGBP-UHFFFAOYSA-N
XLogP5.57
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.86
LogP ≤ 55.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin?
The IUPAC name of 2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin (CID 126620902) is 2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin.
What is the SMILES notation for 2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin?
The canonical SMILES for 2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin is CCC1C2CC3NC(CC4NC(CC5NC(CC(N2)C1C)C(C)C5CC)C(CC)C4C)C(C)C3CC.
What is the InChIKey of 2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin?
The InChIKey is PWEQGQRWRJCGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H60N4/c1-9-21-17(5)25-13-26-19(7)23(11-3)31(35-26)16-32-24(12-4)20(8)28(36-32)14-27-18(6)22(10-2)30(34-27)15-29(21)33-25/h17-36H,9-16H2,1-8H3.
What are the key properties of 2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin?
2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin has a molecular weight of 500.86 g/mol, XLogP of 5.57, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin is sourced from PubChem (CID 126620902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).