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

C55H37N7O — CID 136732190

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

2-pyridin-2-yl-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]pyridine-4-carboxamide (PubChem CID 136732190) has the molecular formula C55H37N7O and a molecular weight of 811.95 g/mol. Its IUPAC name is 2-pyridin-2-yl-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-pyridin-2-yl-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]pyridine-4-carboxamide
• PubChem CID: 136732190
• Molecular Formula: C55H37N7O
• Molecular Weight: 811.95 g/mol
• Exact Mass: 811.31
• IUPAC Name: 2-pyridin-2-yl-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]pyridine-4-carboxamide
• SMILES: O=C(Nc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)c1ccnc(-c2ccccn2)c1
• InChI: InChI=1S/C55H37N7O/c63-55(39-31-33-57-50(34-39)41-18-10-11-32-56-41)58-40-21-19-38(20-22-40)54-48-29-27-46(61-48)52(36-14-6-2-7-15-36)44-25-23-42(59-44)51(35-12-4-1-5-13-35)43-24-26-45(60-43)53(37-16-8-3-9-17-37)47-28-30-49(54)62-47/h1-34,59,62H,(H,58,63)/b51-42-,51-43-,52-44-,52-46-,53-45-,53-47-,54-48-,54-49-
• InChIKey: NHOHRLTVPORYJI-QZRQTBHASA-N
• XLogP: 13.03
• TPSA: 112.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	811.95
LogP ≤ 5	13.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-pyridin-2-yl-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]pyridine-4-carboxamide (CID 136732190) is 2-pyridin-2-yl-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]pyridine-4-carboxamide.

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

The canonical SMILES for 2-pyridin-2-yl-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]pyridine-4-carboxamide is O=C(Nc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)c1ccnc(-c2ccccn2)c1.

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

The InChIKey is NHOHRLTVPORYJI-QZRQTBHASA-N. The full InChI is InChI=1S/C55H37N7O/c63-55(39-31-33-57-50(34-39)41-18-10-11-32-56-41)58-40-21-19-38(20-22-40)54-48-29-27-46(61-48)52(36-14-6-2-7-15-36)44-25-23-42(59-44)51(35-12-4-1-5-13-35)43-24-26-45(60-43)53(37-16-8-3-9-17-37)47-28-30-49(54)62-47/h1-34,59,62H,(H,58,63)/b51-42-,51-43-,52-44-,52-46-,53-45-,53-47-,54-48-,54-49-.

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

2-pyridin-2-yl-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 811.95 g/mol, XLogP of 13.03, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-pyridin-2-yl-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 136732190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).