2,3,7,13,17-pentaethyl-8,12,18-trimethyl-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

C33H62N4 — CID 134185061

IUPAC2,3,7,13,17-pentaethyl-8,12,18-trimethyl-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)C4CC)C(C)C3CC
InChIInChI=1S/C33H62N4/c1-9-21-18(6)26-14-27-19(7)22(10-2)31(35-27)17-33-25(13-5)24(12-4)32(37-33)15-28-20(8)23(11-3)30(36-28)16-29(21)34-26/h18-37H,9-17H2,1-8H3
InChIKeyWWLLUQLUBHCNDL-UHFFFAOYSA-N
MW514.89 g/mol
LogP5.96
Rot. Bonds5

About 2,3,7,13,17-pentaethyl-8,12,18-trimethyl-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

2,3,7,13,17-pentaethyl-8,12,18-trimethyl-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 134185061) has the molecular formula C33H62N4 and a molecular weight of 514.89 g/mol. Its IUPAC name is 2,3,7,13,17-pentaethyl-8,12,18-trimethyl-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 Name2,3,7,13,17-pentaethyl-8,12,18-trimethyl-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 CID134185061
Molecular FormulaC33H62N4
Molecular Weight514.89 g/mol
Exact Mass514.50
IUPAC Name2,3,7,13,17-pentaethyl-8,12,18-trimethyl-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)C4CC)C(C)C3CC
InChIInChI=1S/C33H62N4/c1-9-21-18(6)26-14-27-19(7)22(10-2)31(35-27)17-33-25(13-5)24(12-4)32(37-33)15-28-20(8)23(11-3)30(36-28)16-29(21)34-26/h18-37H,9-17H2,1-8H3
InChIKeyWWLLUQLUBHCNDL-UHFFFAOYSA-N
XLogP5.96
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.89
LogP ≤ 55.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2,3,7,13,17-pentaethyl-8,12,18-trimethyl-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,7,13,17-pentaethyl-8,12,18-trimethyl-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 2,3,7,13,17-pentaethyl-8,12,18-trimethyl-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 134185061) is 2,3,7,13,17-pentaethyl-8,12,18-trimethyl-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 2,3,7,13,17-pentaethyl-8,12,18-trimethyl-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 2,3,7,13,17-pentaethyl-8,12,18-trimethyl-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)C4CC)C(C)C3CC.
What is the InChIKey of 2,3,7,13,17-pentaethyl-8,12,18-trimethyl-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 WWLLUQLUBHCNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H62N4/c1-9-21-18(6)26-14-27-19(7)22(10-2)31(35-27)17-33-25(13-5)24(12-4)32(37-33)15-28-20(8)23(11-3)30(36-28)16-29(21)34-26/h18-37H,9-17H2,1-8H3.
What are the key properties of 2,3,7,13,17-pentaethyl-8,12,18-trimethyl-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?
2,3,7,13,17-pentaethyl-8,12,18-trimethyl-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 514.89 g/mol, XLogP of 5.96, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,13,17-pentaethyl-8,12,18-trimethyl-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 134185061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).