6-(4-methyl-2-pyridinyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]pyridine-3-carboxamide

C56H39N7O — CID 136776439

About 6-(4-methyl-2-pyridinyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]pyridine-3-carboxamide

6-(4-methyl-2-pyridinyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]pyridine-3-carboxamide (PubChem CID 136776439) has the molecular formula C56H39N7O and a molecular weight of 825.98 g/mol. Its IUPAC name is 6-(4-methyl-2-pyridinyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(4-methyl-2-pyridinyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]pyridine-3-carboxamide
• PubChem CID: 136776439
• Molecular Formula: C56H39N7O
• Molecular Weight: 825.98 g/mol
• Exact Mass: 825.32
• IUPAC Name: 6-(4-methyl-2-pyridinyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]pyridine-3-carboxamide
• SMILES: Cc1ccnc(-c2ccc(C(=O)Nc3ccc(-c4c5nc(c(-c6ccccc6)c6ccc([nH]6)c(-c6ccccc6)c6nc(c(-c7ccccc7)c7ccc4[nH]7)C=C6)C=C5)cc3)cn2)c1
• InChI: InChI=1S/C56H39N7O/c1-35-31-32-57-51(33-35)42-22-19-40(34-58-42)56(64)59-41-20-17-39(18-21-41)55-49-29-27-47(62-49)53(37-13-7-3-8-14-37)45-25-23-43(60-45)52(36-11-5-2-6-12-36)44-24-26-46(61-44)54(38-15-9-4-10-16-38)48-28-30-50(55)63-48/h2-34,60,63H,1H3,(H,59,64)/b52-43-,52-44-,53-45-,53-47-,54-46-,54-48-,55-49-,55-50-
• InChIKey: QCGBKWPXUNYMMR-AVTQDQBTSA-N
• XLogP: 13.34
• TPSA: 112.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	825.98
LogP ≤ 5	13.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-2-pyridinyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]pyridine-3-carboxamide?

The IUPAC name of 6-(4-methyl-2-pyridinyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]pyridine-3-carboxamide (CID 136776439) is 6-(4-methyl-2-pyridinyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-(4-methyl-2-pyridinyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]pyridine-3-carboxamide?

The canonical SMILES for 6-(4-methyl-2-pyridinyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]pyridine-3-carboxamide is Cc1ccnc(-c2ccc(C(=O)Nc3ccc(-c4c5nc(c(-c6ccccc6)c6ccc([nH]6)c(-c6ccccc6)c6nc(c(-c7ccccc7)c7ccc4[nH]7)C=C6)C=C5)cc3)cn2)c1.

What is the InChIKey of 6-(4-methyl-2-pyridinyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]pyridine-3-carboxamide?

The InChIKey is QCGBKWPXUNYMMR-AVTQDQBTSA-N. The full InChI is InChI=1S/C56H39N7O/c1-35-31-32-57-51(33-35)42-22-19-40(34-58-42)56(64)59-41-20-17-39(18-21-41)55-49-29-27-47(62-49)53(37-13-7-3-8-14-37)45-25-23-43(60-45)52(36-11-5-2-6-12-36)44-24-26-46(61-44)54(38-15-9-4-10-16-38)48-28-30-50(55)63-48/h2-34,60,63H,1H3,(H,59,64)/b52-43-,52-44-,53-45-,53-47-,54-46-,54-48-,55-49-,55-50-.

What are the key properties of 6-(4-methyl-2-pyridinyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]pyridine-3-carboxamide?

6-(4-methyl-2-pyridinyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 825.98 g/mol, XLogP of 13.34, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-methyl-2-pyridinyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 136776439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).