5,10,15,20-tetrakis(5-thiophen-3-yl-3-pyridinyl)-21,22,23,24-tetrahydroporphyrin

C56H36N8S4 — CID 54330644

IUPAC5,10,15,20-tetrakis(5-thiophen-3-yl-3-pyridinyl)-21,22,23,24-tetrahydroporphyrin
SMILESc1cc(-c2cncc(C3=c4ccc([nH]4)=C(c4cncc(-c5ccsc5)c4)c4ccc([nH]4)C(c4cncc(-c5ccsc5)c4)=c4ccc([nH]4)=C(c4cncc(-c5ccsc5)c4)c4ccc3[nH]4)c2)cs1
InChIInChI=1S/C56H36N8S4/c1-2-46-54(42-18-38(22-58-26-42)34-10-14-66-30-34)48-5-6-50(63-48)56(44-20-40(24-60-28-44)36-12-16-68-32-36)52-8-7-51(64-52)55(43-19-39(23-59-27-43)35-11-15-67-31-35)49-4-3-47(62-49)53(45(1)61-46)41-17-37(21-57-25-41)33-9-13-65-29-33/h1-32,61-64H
InChIKeyLHHCYWVJGHYEJR-UHFFFAOYSA-N
MW949.23 g/mol
LogP10.80
Rot. Bonds8

About 5,10,15,20-tetrakis(5-thiophen-3-yl-3-pyridinyl)-21,22,23,24-tetrahydroporphyrin

5,10,15,20-tetrakis(5-thiophen-3-yl-3-pyridinyl)-21,22,23,24-tetrahydroporphyrin (PubChem CID 54330644) has the molecular formula C56H36N8S4 and a molecular weight of 949.23 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(5-thiophen-3-yl-3-pyridinyl)-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis(5-thiophen-3-yl-3-pyridinyl)-21,22,23,24-tetrahydroporphyrin
PubChem CID54330644
Molecular FormulaC56H36N8S4
Molecular Weight949.23 g/mol
Exact Mass948.19
IUPAC Name5,10,15,20-tetrakis(5-thiophen-3-yl-3-pyridinyl)-21,22,23,24-tetrahydroporphyrin
SMILESc1cc(-c2cncc(C3=c4ccc([nH]4)=C(c4cncc(-c5ccsc5)c4)c4ccc([nH]4)C(c4cncc(-c5ccsc5)c4)=c4ccc([nH]4)=C(c4cncc(-c5ccsc5)c4)c4ccc3[nH]4)c2)cs1
InChIInChI=1S/C56H36N8S4/c1-2-46-54(42-18-38(22-58-26-42)34-10-14-66-30-34)48-5-6-50(63-48)56(44-20-40(24-60-28-44)36-12-16-68-32-36)52-8-7-51(64-52)55(43-19-39(23-59-27-43)35-11-15-67-31-35)49-4-3-47(62-49)53(45(1)61-46)41-17-37(21-57-25-41)33-9-13-65-29-33/h1-32,61-64H
InChIKeyLHHCYWVJGHYEJR-UHFFFAOYSA-N
XLogP10.80
TPSA114.72 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.23
LogP ≤ 510.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5,10,15,20-tetrakis(5-thiophen-3-yl-3-pyridinyl)-21,22,23,24-tetrahydroporphyrin with MolForge

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

Launch Full Analysis

Related Compounds

4-(5-Phenyl-2-thiophen-2-yl-1H-pyrrol-3-yl)-pyridine
CID 44324151
4-[5-(1-Methyl-piperidin-4-yl)-2-thiophen-3-yl-1H-pyrrol-3-yl]-pyridine
CID 44399576
Pyridine, 2,2'-(2,5-di-2-thienyl-1H-pyrrole-3,4-diyl)bis-
CID 380634
1,2-Bis(5-(4-pyridyl)-2-methyl-3-thienyl)hexafluorocyclopentene
CID 139185087
4-[5-(1-methylpiperidin-4-yl)-2-thiophen-3-yl-1H-pyrrol-3-yl]pyridine;dihydrochloride
CID 177657137
5,10,15,20-Tetrakis(4-pyridyl)-21,22,23,24-tetrahydroporphyrin
CID 53770087
5,10,15,20-Tetrapyridin-3-yl-21,22,23,24-tetrahydroporphyrin
CID 53865522
2-(4-Fluorophenyl)-7,12,17-tris(2-pyridin-2-ylethynyl)-21-thia-22,23,24-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6,8(23),9,11,13(22),14,16,18-undecaene
CID 10101412
4,4'-Bis(5'-octyl-2.2'-bithiophen-5-yl)-2,2'-bipyridine
CID 57827853
2-(4-Fluorophenyl)-7,12,17-tris(2-pyridin-2-ylethynyl)-21-thia-22,23,24-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaene
CID 91372953
2-(4-Fluorophenyl)-7,17-dipyridin-2-yl-12-(2-pyridin-2-ylethynyl)-21-thia-22,23,24-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaene
CID 136609859
2,6-bis[4-[(E)-but-1-enyl]-2-pyridinyl]-4-ethylpyridine;chlororuthenium(1+);[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide
CID 140687208

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(5-thiophen-3-yl-3-pyridinyl)-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis(5-thiophen-3-yl-3-pyridinyl)-21,22,23,24-tetrahydroporphyrin (CID 54330644) is 5,10,15,20-tetrakis(5-thiophen-3-yl-3-pyridinyl)-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis(5-thiophen-3-yl-3-pyridinyl)-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis(5-thiophen-3-yl-3-pyridinyl)-21,22,23,24-tetrahydroporphyrin is c1cc(-c2cncc(C3=c4ccc([nH]4)=C(c4cncc(-c5ccsc5)c4)c4ccc([nH]4)C(c4cncc(-c5ccsc5)c4)=c4ccc([nH]4)=C(c4cncc(-c5ccsc5)c4)c4ccc3[nH]4)c2)cs1.
What is the InChIKey of 5,10,15,20-tetrakis(5-thiophen-3-yl-3-pyridinyl)-21,22,23,24-tetrahydroporphyrin?
The InChIKey is LHHCYWVJGHYEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N8S4/c1-2-46-54(42-18-38(22-58-26-42)34-10-14-66-30-34)48-5-6-50(63-48)56(44-20-40(24-60-28-44)36-12-16-68-32-36)52-8-7-51(64-52)55(43-19-39(23-59-27-43)35-11-15-67-31-35)49-4-3-47(62-49)53(45(1)61-46)41-17-37(21-57-25-41)33-9-13-65-29-33/h1-32,61-64H.
What are the key properties of 5,10,15,20-tetrakis(5-thiophen-3-yl-3-pyridinyl)-21,22,23,24-tetrahydroporphyrin?
5,10,15,20-tetrakis(5-thiophen-3-yl-3-pyridinyl)-21,22,23,24-tetrahydroporphyrin has a molecular weight of 949.23 g/mol, XLogP of 10.80, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis(5-thiophen-3-yl-3-pyridinyl)-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 54330644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).