5,10,15,20-tetrakis(1-benzothiophen-2-yl)-21,22,23,24-tetrahydroporphyrin

C52H32N4S4 — CID 57137168

IUPAC5,10,15,20-tetrakis(1-benzothiophen-2-yl)-21,22,23,24-tetrahydroporphyrin
SMILESc1ccc2sc(C3=c4ccc([nH]4)=C(c4cc5ccccc5s4)c4ccc([nH]4)C(c4cc5ccccc5s4)=c4ccc([nH]4)=C(c4cc5ccccc5s4)c4ccc3[nH]4)cc2c1
InChIInChI=1S/C52H32N4S4/c1-5-13-41-29(9-1)25-45(57-41)49-33-17-19-35(53-33)50(46-26-30-10-2-6-14-42(30)58-46)37-21-23-39(55-37)52(48-28-32-12-4-8-16-44(32)60-48)40-24-22-38(56-40)51(36-20-18-34(49)54-36)47-27-31-11-3-7-15-43(31)59-47/h1-28,53-56H
InChIKeyXCWISEHTFMEYAL-UHFFFAOYSA-N
MW841.12 g/mol
LogP11.16
Rot. Bonds4

About 5,10,15,20-tetrakis(1-benzothiophen-2-yl)-21,22,23,24-tetrahydroporphyrin

5,10,15,20-tetrakis(1-benzothiophen-2-yl)-21,22,23,24-tetrahydroporphyrin (PubChem CID 57137168) has the molecular formula C52H32N4S4 and a molecular weight of 841.12 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(1-benzothiophen-2-yl)-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis(1-benzothiophen-2-yl)-21,22,23,24-tetrahydroporphyrin
PubChem CID57137168
Molecular FormulaC52H32N4S4
Molecular Weight841.12 g/mol
Exact Mass840.15
IUPAC Name5,10,15,20-tetrakis(1-benzothiophen-2-yl)-21,22,23,24-tetrahydroporphyrin
SMILESc1ccc2sc(C3=c4ccc([nH]4)=C(c4cc5ccccc5s4)c4ccc([nH]4)C(c4cc5ccccc5s4)=c4ccc([nH]4)=C(c4cc5ccccc5s4)c4ccc3[nH]4)cc2c1
InChIInChI=1S/C52H32N4S4/c1-5-13-41-29(9-1)25-45(57-41)49-33-17-19-35(53-33)50(46-26-30-10-2-6-14-42(30)58-46)37-21-23-39(55-37)52(48-28-32-12-4-8-16-44(32)60-48)40-24-22-38(56-40)51(36-20-18-34(49)54-36)47-27-31-11-3-7-15-43(31)59-47/h1-28,53-56H
InChIKeyXCWISEHTFMEYAL-UHFFFAOYSA-N
XLogP11.16
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.12
LogP ≤ 511.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5,10,15,20-tetrakis(1-benzothiophen-2-yl)-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

2-(5-methylthiophen-2-yl)-1-benzothiophene
CID 23543358
6-(1-benzothiophen-2-yl)-1H-pyridin-2-one
CID 53217900
2-[13-(1-benzothiophen-2-yl)pentacen-6-yl]-1-benzothiophene
CID 86041165
2,3-bis(1-benzothiophen-2-yl)cycloprop-2-en-1-one
CID 15515264
6-(1-benzothiophen-2-yl)-3-methyl-1H-pyridin-2-one
CID 167786164
6-(1-benzothiophen-2-yl)-1H-pyrimidin-2-one
CID 154352943
2-[4-[3,5-bis[4-(1-benzothiophen-2-yl)thiophen-3-yl]phenyl]thiophen-3-yl]-1-benzothiophene
CID 58130437
2-[2-[(1E,3Z,5E,7Z)-2,5,7,8-tetrakis(1-benzothiophen-2-yl)-3,4,6-tris[2-(1-benzothiophen-2-yl)ethynyl]cycloocta-1,3,5,7-tetraen-1-yl]ethynyl]-1-benzothiophene
CID 101073097
iron(3+);5,10,15,20-tetraphenyl-21,22,23,24-tetrahydroporphyrin;trichloride
CID 159454747
2-(2,6-dimethylphenyl)-1-benzothiophene
CID 641356
2-(1-benzothiophen-2-yl)benzene-1,3-diamine
CID 102202625
CID 59413459
CID 59413459

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(1-benzothiophen-2-yl)-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis(1-benzothiophen-2-yl)-21,22,23,24-tetrahydroporphyrin (CID 57137168) is 5,10,15,20-tetrakis(1-benzothiophen-2-yl)-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis(1-benzothiophen-2-yl)-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis(1-benzothiophen-2-yl)-21,22,23,24-tetrahydroporphyrin is c1ccc2sc(C3=c4ccc([nH]4)=C(c4cc5ccccc5s4)c4ccc([nH]4)C(c4cc5ccccc5s4)=c4ccc([nH]4)=C(c4cc5ccccc5s4)c4ccc3[nH]4)cc2c1.
What is the InChIKey of 5,10,15,20-tetrakis(1-benzothiophen-2-yl)-21,22,23,24-tetrahydroporphyrin?
The InChIKey is XCWISEHTFMEYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4S4/c1-5-13-41-29(9-1)25-45(57-41)49-33-17-19-35(53-33)50(46-26-30-10-2-6-14-42(30)58-46)37-21-23-39(55-37)52(48-28-32-12-4-8-16-44(32)60-48)40-24-22-38(56-40)51(36-20-18-34(49)54-36)47-27-31-11-3-7-15-43(31)59-47/h1-28,53-56H.
What are the key properties of 5,10,15,20-tetrakis(1-benzothiophen-2-yl)-21,22,23,24-tetrahydroporphyrin?
5,10,15,20-tetrakis(1-benzothiophen-2-yl)-21,22,23,24-tetrahydroporphyrin has a molecular weight of 841.12 g/mol, XLogP of 11.16, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis(1-benzothiophen-2-yl)-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 57137168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).