4-(2-pyridin-2-yl-4-pyridinyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]butanamide

C58H43N7O — CID 177401230

About 4-(2-pyridin-2-yl-4-pyridinyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]butanamide

4-(2-pyridin-2-yl-4-pyridinyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]butanamide (PubChem CID 177401230) has the molecular formula C58H43N7O and a molecular weight of 854.03 g/mol. Its IUPAC name is 4-(2-pyridin-2-yl-4-pyridinyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]butanamide.

Molecular Properties

• Compound Name: 4-(2-pyridin-2-yl-4-pyridinyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]butanamide
• PubChem CID: 177401230
• Molecular Formula: C58H43N7O
• Molecular Weight: 854.03 g/mol
• Exact Mass: 853.35
• IUPAC Name: 4-(2-pyridin-2-yl-4-pyridinyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]butanamide
• SMILES: O=C(CCCc1ccnc(-c2ccccn2)c1)Nc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1
• InChI: InChI=1S/C58H43N7O/c66-54(21-12-13-38-34-36-60-53(37-38)44-20-10-11-35-59-44)61-43-24-22-42(23-25-43)58-51-32-30-49(64-51)56(40-16-6-2-7-17-40)47-28-26-45(62-47)55(39-14-4-1-5-15-39)46-27-29-48(63-46)57(41-18-8-3-9-19-41)50-31-33-52(58)65-50/h1-11,14-20,22-37,62,65H,12-13,21H2,(H,61,66)/b55-45-,55-46-,56-47-,56-49-,57-48-,57-50-,58-51-,58-52-
• InChIKey: QCDLDHDKJDVSLP-VDCLEYLXSA-N
• XLogP: 13.74
• TPSA: 112.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	854.03
LogP ≤ 5	13.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-2-yl-4-pyridinyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]butanamide?

The IUPAC name of 4-(2-pyridin-2-yl-4-pyridinyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]butanamide (CID 177401230) is 4-(2-pyridin-2-yl-4-pyridinyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]butanamide.

What is the SMILES notation for 4-(2-pyridin-2-yl-4-pyridinyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]butanamide?

The canonical SMILES for 4-(2-pyridin-2-yl-4-pyridinyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]butanamide is O=C(CCCc1ccnc(-c2ccccn2)c1)Nc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1.

What is the InChIKey of 4-(2-pyridin-2-yl-4-pyridinyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]butanamide?

The InChIKey is QCDLDHDKJDVSLP-VDCLEYLXSA-N. The full InChI is InChI=1S/C58H43N7O/c66-54(21-12-13-38-34-36-60-53(37-38)44-20-10-11-35-59-44)61-43-24-22-42(23-25-43)58-51-32-30-49(64-51)56(40-16-6-2-7-17-40)47-28-26-45(62-47)55(39-14-4-1-5-15-39)46-27-29-48(63-46)57(41-18-8-3-9-19-41)50-31-33-52(58)65-50/h1-11,14-20,22-37,62,65H,12-13,21H2,(H,61,66)/b55-45-,55-46-,56-47-,56-49-,57-48-,57-50-,58-51-,58-52-.

What are the key properties of 4-(2-pyridin-2-yl-4-pyridinyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]butanamide?

4-(2-pyridin-2-yl-4-pyridinyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]butanamide has a molecular weight of 854.03 g/mol, XLogP of 13.74, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-pyridin-2-yl-4-pyridinyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]butanamide is sourced from PubChem (CID 177401230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).