5,10,15,20-tetrakis(2-pyridin-2-yl-4-pyridinyl)-21,23-dihydroporphyrin

C60H38N12 — CID 101390563

IUPAC5,10,15,20-tetrakis(2-pyridin-2-yl-4-pyridinyl)-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccnc(-c3ccccn3)c1)c1ccc([nH]1)c(-c1ccnc(-c3ccccn3)c1)c1nc(c(-c3ccnc(-c4ccccn4)c3)c3ccc([nH]3)c2-c2ccnc(-c3ccccn3)c2)C=C1
InChIInChI=1S/C60H38N12/c1-5-25-61-41(9-1)53-33-37(21-29-65-53)57-45-13-15-47(69-45)58(38-22-30-66-54(34-38)42-10-2-6-26-62-42)49-17-19-51(71-49)60(40-24-32-68-56(36-40)44-12-4-8-28-64-44)52-20-18-50(72-52)59(48-16-14-46(57)70-48)39-23-31-67-55(35-39)43-11-3-7-27-63-43/h1-36,69,72H/b57-45-,57-46-,58-47-,58-49-,59-48-,59-50-,60-51-,60-52-
InChIKeyFDXQXVMJWJJFGK-AWVKZVLPSA-N
MW927.05 g/mol
LogP13.15
Rot. Bonds8

About 5,10,15,20-tetrakis(2-pyridin-2-yl-4-pyridinyl)-21,23-dihydroporphyrin

5,10,15,20-tetrakis(2-pyridin-2-yl-4-pyridinyl)-21,23-dihydroporphyrin (PubChem CID 101390563) has the molecular formula C60H38N12 and a molecular weight of 927.05 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(2-pyridin-2-yl-4-pyridinyl)-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis(2-pyridin-2-yl-4-pyridinyl)-21,23-dihydroporphyrin
PubChem CID101390563
Molecular FormulaC60H38N12
Molecular Weight927.05 g/mol
Exact Mass926.33
IUPAC Name5,10,15,20-tetrakis(2-pyridin-2-yl-4-pyridinyl)-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccnc(-c3ccccn3)c1)c1ccc([nH]1)c(-c1ccnc(-c3ccccn3)c1)c1nc(c(-c3ccnc(-c4ccccn4)c3)c3ccc([nH]3)c2-c2ccnc(-c3ccccn3)c2)C=C1
InChIInChI=1S/C60H38N12/c1-5-25-61-41(9-1)53-33-37(21-29-65-53)57-45-13-15-47(69-45)58(38-22-30-66-54(34-38)42-10-2-6-26-62-42)49-17-19-51(71-49)60(40-24-32-68-56(36-40)44-12-4-8-28-64-44)52-20-18-50(72-52)59(48-16-14-46(57)70-48)39-23-31-67-55(35-39)43-11-3-7-27-63-43/h1-36,69,72H/b57-45-,57-46-,58-47-,58-49-,59-48-,59-50-,60-51-,60-52-
InChIKeyFDXQXVMJWJJFGK-AWVKZVLPSA-N
XLogP13.15
TPSA160.48 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.05
LogP ≤ 513.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5,10,15,20-tetrakis(2-pyridin-2-yl-4-pyridinyl)-21,23-dihydroporphyrin 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

ethyl 4-[10,20-bis(4-ethoxycarbonylphenyl)-15-(2-pyridin-2-yl-4-pyridinyl)-21,23-dihydroporphyrin-5-yl]benzoate
CID 136864019
5,10,15,20-tetrakis[3-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]-21,23-dihydroporphyrin
CID 177401837
5,15-bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-10,20-bis(4-methoxyphenyl)-21,23-dihydroporphyrin
CID 101187091
2-pyridin-2-yl-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]pyridine-4-carboxamide
CID 136732190
5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin
CID 135403354
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
4-(2-pyridin-2-yl-4-pyridinyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]butanamide
CID 177401230
2-pyridin-2-yl-4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]pyridine
CID 10389614
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
5,10,15-triheptyl-20-[3-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]-21,23-dihydroporphyrin
CID 177397353
5,10,15-triphenyl-20-[6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenanthren-3-yl]-21,23-dihydroporphyrin
CID 101030343
5-(4-hex-1-ynylphenyl)-10,15,20-tripyridin-2-yl-21,23-dihydroporphyrin
CID 136901174

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(2-pyridin-2-yl-4-pyridinyl)-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis(2-pyridin-2-yl-4-pyridinyl)-21,23-dihydroporphyrin (CID 101390563) is 5,10,15,20-tetrakis(2-pyridin-2-yl-4-pyridinyl)-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis(2-pyridin-2-yl-4-pyridinyl)-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis(2-pyridin-2-yl-4-pyridinyl)-21,23-dihydroporphyrin is C1=Cc2nc1c(-c1ccnc(-c3ccccn3)c1)c1ccc([nH]1)c(-c1ccnc(-c3ccccn3)c1)c1nc(c(-c3ccnc(-c4ccccn4)c3)c3ccc([nH]3)c2-c2ccnc(-c3ccccn3)c2)C=C1.
What is the InChIKey of 5,10,15,20-tetrakis(2-pyridin-2-yl-4-pyridinyl)-21,23-dihydroporphyrin?
The InChIKey is FDXQXVMJWJJFGK-AWVKZVLPSA-N. The full InChI is InChI=1S/C60H38N12/c1-5-25-61-41(9-1)53-33-37(21-29-65-53)57-45-13-15-47(69-45)58(38-22-30-66-54(34-38)42-10-2-6-26-62-42)49-17-19-51(71-49)60(40-24-32-68-56(36-40)44-12-4-8-28-64-44)52-20-18-50(72-52)59(48-16-14-46(57)70-48)39-23-31-67-55(35-39)43-11-3-7-27-63-43/h1-36,69,72H/b57-45-,57-46-,58-47-,58-49-,59-48-,59-50-,60-51-,60-52-.
What are the key properties of 5,10,15,20-tetrakis(2-pyridin-2-yl-4-pyridinyl)-21,23-dihydroporphyrin?
5,10,15,20-tetrakis(2-pyridin-2-yl-4-pyridinyl)-21,23-dihydroporphyrin has a molecular weight of 927.05 g/mol, XLogP of 13.15, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis(2-pyridin-2-yl-4-pyridinyl)-21,23-dihydroporphyrin is sourced from PubChem (CID 101390563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).