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

C32H56N4 — CID 40513160

IUPAC2,7,13,17-tetraethyl-3,8,12,18-tetramethyl-1,2,3,4,5,6,9,10,11,12,13,14,15,16,19,20,21,22,23,24-icosahydroporphyrin
SMILESCCC1=C(C)C2CC3NC(CC4NC(CC5NC(CC1N2)C(C)C5CC)C(C)=C4CC)C(CC)C3C
InChIInChI=1S/C32H56N4/c1-9-21-17(5)25-13-26-18(6)23(11-3)31(34-26)16-32-24(12-4)20(8)28(36-32)15-30-22(10-2)19(7)27(35-30)14-29(21)33-25/h18-19,22-23,25-36H,9-16H2,1-8H3
InChIKeySEPCMYDYRISWPO-UHFFFAOYSA-N
MW496.83 g/mol
LogP5.70
Rot. Bonds4

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

2,7,13,17-tetraethyl-3,8,12,18-tetramethyl-1,2,3,4,5,6,9,10,11,12,13,14,15,16,19,20,21,22,23,24-icosahydroporphyrin (PubChem CID 40513160) has the molecular formula C32H56N4 and a molecular weight of 496.83 g/mol. Its IUPAC name is 2,7,13,17-tetraethyl-3,8,12,18-tetramethyl-1,2,3,4,5,6,9,10,11,12,13,14,15,16,19,20,21,22,23,24-icosahydroporphyrin.

Molecular Properties

Compound Name2,7,13,17-tetraethyl-3,8,12,18-tetramethyl-1,2,3,4,5,6,9,10,11,12,13,14,15,16,19,20,21,22,23,24-icosahydroporphyrin
PubChem CID40513160
Molecular FormulaC32H56N4
Molecular Weight496.83 g/mol
Exact Mass496.45
IUPAC Name2,7,13,17-tetraethyl-3,8,12,18-tetramethyl-1,2,3,4,5,6,9,10,11,12,13,14,15,16,19,20,21,22,23,24-icosahydroporphyrin
SMILESCCC1=C(C)C2CC3NC(CC4NC(CC5NC(CC1N2)C(C)C5CC)C(C)=C4CC)C(CC)C3C
InChIInChI=1S/C32H56N4/c1-9-21-17(5)25-13-26-18(6)23(11-3)31(34-26)16-32-24(12-4)20(8)28(36-32)15-30-22(10-2)19(7)27(35-30)14-29(21)33-25/h18-19,22-23,25-36H,9-16H2,1-8H3
InChIKeySEPCMYDYRISWPO-UHFFFAOYSA-N
XLogP5.70
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.83
LogP ≤ 55.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,7,13,17-tetraethyl-3,8,12,18-tetramethyl-1,2,3,4,5,6,9,10,11,12,13,14,15,16,19,20,21,22,23,24-icosahydroporphyrin 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 2,7,13,17-tetraethyl-3,8,12,18-tetramethyl-1,2,3,4,5,6,9,10,11,12,13,14,15,16,19,20,21,22,23,24-icosahydroporphyrin?
The IUPAC name of 2,7,13,17-tetraethyl-3,8,12,18-tetramethyl-1,2,3,4,5,6,9,10,11,12,13,14,15,16,19,20,21,22,23,24-icosahydroporphyrin (CID 40513160) is 2,7,13,17-tetraethyl-3,8,12,18-tetramethyl-1,2,3,4,5,6,9,10,11,12,13,14,15,16,19,20,21,22,23,24-icosahydroporphyrin.
What is the SMILES notation for 2,7,13,17-tetraethyl-3,8,12,18-tetramethyl-1,2,3,4,5,6,9,10,11,12,13,14,15,16,19,20,21,22,23,24-icosahydroporphyrin?
The canonical SMILES for 2,7,13,17-tetraethyl-3,8,12,18-tetramethyl-1,2,3,4,5,6,9,10,11,12,13,14,15,16,19,20,21,22,23,24-icosahydroporphyrin is CCC1=C(C)C2CC3NC(CC4NC(CC5NC(CC1N2)C(C)C5CC)C(C)=C4CC)C(CC)C3C.
What is the InChIKey of 2,7,13,17-tetraethyl-3,8,12,18-tetramethyl-1,2,3,4,5,6,9,10,11,12,13,14,15,16,19,20,21,22,23,24-icosahydroporphyrin?
The InChIKey is SEPCMYDYRISWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56N4/c1-9-21-17(5)25-13-26-18(6)23(11-3)31(34-26)16-32-24(12-4)20(8)28(36-32)15-30-22(10-2)19(7)27(35-30)14-29(21)33-25/h18-19,22-23,25-36H,9-16H2,1-8H3.
What are the key properties of 2,7,13,17-tetraethyl-3,8,12,18-tetramethyl-1,2,3,4,5,6,9,10,11,12,13,14,15,16,19,20,21,22,23,24-icosahydroporphyrin?
2,7,13,17-tetraethyl-3,8,12,18-tetramethyl-1,2,3,4,5,6,9,10,11,12,13,14,15,16,19,20,21,22,23,24-icosahydroporphyrin has a molecular weight of 496.83 g/mol, XLogP of 5.70, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,13,17-tetraethyl-3,8,12,18-tetramethyl-1,2,3,4,5,6,9,10,11,12,13,14,15,16,19,20,21,22,23,24-icosahydroporphyrin is sourced from PubChem (CID 40513160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).