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

C64H42N8 — CID 87736674

IUPAC5,10,15,20-tetrakis(2-pyridin-4-ylphenyl)-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccccc1-c1ccncc1)c1ccc([nH]1)c(-c1ccccc1-c1ccncc1)c1nc(c(-c3ccccc3-c3ccncc3)c3ccc([nH]3)c2-c2ccccc2-c2ccncc2)C=C1
InChIInChI=1S/C64H42N8/c1-5-13-49(45(9-1)41-25-33-65-34-26-41)61-53-17-19-55(69-53)62(50-14-6-2-10-46(50)42-27-35-66-36-28-42)57-21-23-59(71-57)64(52-16-8-4-12-48(52)44-31-39-68-40-32-44)60-24-22-58(72-60)63(56-20-18-54(61)70-56)51-15-7-3-11-47(51)43-29-37-67-38-30-43/h1-40,69,72H/b61-53-,61-54-,62-55-,62-57-,63-56-,63-58-,64-59-,64-60-
InChIKeyOWIJKYSAVCYSNH-WJVFOVLXSA-N
MW923.10 g/mol
LogP15.57
Rot. Bonds8

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

5,10,15,20-tetrakis(2-pyridin-4-ylphenyl)-21,23-dihydroporphyrin (PubChem CID 87736674) has the molecular formula C64H42N8 and a molecular weight of 923.10 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(2-pyridin-4-ylphenyl)-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis(2-pyridin-4-ylphenyl)-21,23-dihydroporphyrin
PubChem CID87736674
Molecular FormulaC64H42N8
Molecular Weight923.10 g/mol
Exact Mass922.35
IUPAC Name5,10,15,20-tetrakis(2-pyridin-4-ylphenyl)-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccccc1-c1ccncc1)c1ccc([nH]1)c(-c1ccccc1-c1ccncc1)c1nc(c(-c3ccccc3-c3ccncc3)c3ccc([nH]3)c2-c2ccccc2-c2ccncc2)C=C1
InChIInChI=1S/C64H42N8/c1-5-13-49(45(9-1)41-25-33-65-34-26-41)61-53-17-19-55(69-53)62(50-14-6-2-10-46(50)42-27-35-66-36-28-42)57-21-23-59(71-57)64(52-16-8-4-12-48(52)44-31-39-68-40-32-44)60-24-22-58(72-60)63(56-20-18-54(61)70-56)51-15-7-3-11-47(51)43-29-37-67-38-30-43/h1-40,69,72H/b61-53-,61-54-,62-55-,62-57-,63-56-,63-58-,64-59-,64-60-
InChIKeyOWIJKYSAVCYSNH-WJVFOVLXSA-N
XLogP15.57
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.10
LogP ≤ 515.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(2-pyridin-4-ylphenyl)-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis(2-pyridin-4-ylphenyl)-21,23-dihydroporphyrin (CID 87736674) is 5,10,15,20-tetrakis(2-pyridin-4-ylphenyl)-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis(2-pyridin-4-ylphenyl)-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis(2-pyridin-4-ylphenyl)-21,23-dihydroporphyrin is C1=Cc2nc1c(-c1ccccc1-c1ccncc1)c1ccc([nH]1)c(-c1ccccc1-c1ccncc1)c1nc(c(-c3ccccc3-c3ccncc3)c3ccc([nH]3)c2-c2ccccc2-c2ccncc2)C=C1.
What is the InChIKey of 5,10,15,20-tetrakis(2-pyridin-4-ylphenyl)-21,23-dihydroporphyrin?
The InChIKey is OWIJKYSAVCYSNH-WJVFOVLXSA-N. The full InChI is InChI=1S/C64H42N8/c1-5-13-49(45(9-1)41-25-33-65-34-26-41)61-53-17-19-55(69-53)62(50-14-6-2-10-46(50)42-27-35-66-36-28-42)57-21-23-59(71-57)64(52-16-8-4-12-48(52)44-31-39-68-40-32-44)60-24-22-58(72-60)63(56-20-18-54(61)70-56)51-15-7-3-11-47(51)43-29-37-67-38-30-43/h1-40,69,72H/b61-53-,61-54-,62-55-,62-57-,63-56-,63-58-,64-59-,64-60-.
What are the key properties of 5,10,15,20-tetrakis(2-pyridin-4-ylphenyl)-21,23-dihydroporphyrin?
5,10,15,20-tetrakis(2-pyridin-4-ylphenyl)-21,23-dihydroporphyrin has a molecular weight of 923.10 g/mol, XLogP of 15.57, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis(2-pyridin-4-ylphenyl)-21,23-dihydroporphyrin is sourced from PubChem (CID 87736674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).