2-[10-hexyl-20-(4-methoxyphenyl)-15-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin

C121H88N12O — CID 44519560

About 2-[10-hexyl-20-(4-methoxyphenyl)-15-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin

2-[10-hexyl-20-(4-methoxyphenyl)-15-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin (PubChem CID 44519560) has the molecular formula C121H88N12O and a molecular weight of 1726.12 g/mol. Its IUPAC name is 2-[10-hexyl-20-(4-methoxyphenyl)-15-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin.

Molecular Properties

• Compound Name: 2-[10-hexyl-20-(4-methoxyphenyl)-15-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
• PubChem CID: 44519560
• Molecular Formula: C121H88N12O
• Molecular Weight: 1726.12 g/mol
• Exact Mass: 1724.72
• IUPAC Name: 2-[10-hexyl-20-(4-methoxyphenyl)-15-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
• SMILES: CCCCCCc1c2nc(c(-c3cc4[nH]c3c(-c3ccccc3)c3nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c4-c4ccccc4)C=C5)C=C3)c3ccc([nH]3)c(-c3ccc(OC)cc3)c3nc(c(-c4cc5[nH]c4c(-c4ccccc4)c4nc(c(-c6ccccc6)c6ccc([nH]6)c(-c6ccccc6)c6nc(c5-c5ccccc5)C=C6)C=C4)c4ccc1[nH]4)C=C3)C=C2
• InChI: InChI=1S/C121H88N12O/c1-3-4-5-30-47-84-87-52-54-103(122-87)118(85-72-107-114(78-39-22-10-23-40-78)99-62-60-93(126-99)109(74-31-14-6-15-32-74)89-56-58-91(124-89)111(76-35-18-8-19-36-76)95-64-68-101(128-95)116(120(85)132-107)80-43-26-12-27-44-80)105-70-66-97(130-105)113(82-48-50-83(134-2)51-49-82)98-67-71-106(131-98)119(104-55-53-88(84)123-104)86-73-108-115(79-41-24-11-25-42-79)100-63-61-94(127-100)110(75-33-16-7-17-34-75)90-57-59-92(125-90)112(77-37-20-9-21-38-77)96-65-69-102(129-96)117(121(86)133-108)81-45-28-13-29-46-81/h6-29,31-46,48-73,122,124-125,131-133H,3-5,30,47H2,1-2H3/b87-84-,88-84-,109-89-,109-93-,110-90-,110-94-,111-91-,111-95-,112-92-,112-96-,113-97-,113-98-,114-99-,114-107-,115-100-,115-108-,116-101-,117-102-,118-103-,118-105-,119-104-,119-106-,120-116-,121-117-
• InChIKey: GERCIGLISDMULL-WBCOPQGFSA-N
• XLogP: 31.06
• TPSA: 181.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 17
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1726.12
LogP ≤ 5	31.06
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[10-hexyl-20-(4-methoxyphenyl)-15-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?

The IUPAC name of 2-[10-hexyl-20-(4-methoxyphenyl)-15-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin (CID 44519560) is 2-[10-hexyl-20-(4-methoxyphenyl)-15-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin.

What is the SMILES notation for 2-[10-hexyl-20-(4-methoxyphenyl)-15-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?

The canonical SMILES for 2-[10-hexyl-20-(4-methoxyphenyl)-15-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin is CCCCCCc1c2nc(c(-c3cc4[nH]c3c(-c3ccccc3)c3nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c4-c4ccccc4)C=C5)C=C3)c3ccc([nH]3)c(-c3ccc(OC)cc3)c3nc(c(-c4cc5[nH]c4c(-c4ccccc4)c4nc(c(-c6ccccc6)c6ccc([nH]6)c(-c6ccccc6)c6nc(c5-c5ccccc5)C=C6)C=C4)c4ccc1[nH]4)C=C3)C=C2.

What is the InChIKey of 2-[10-hexyl-20-(4-methoxyphenyl)-15-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?

The InChIKey is GERCIGLISDMULL-WBCOPQGFSA-N. The full InChI is InChI=1S/C121H88N12O/c1-3-4-5-30-47-84-87-52-54-103(122-87)118(85-72-107-114(78-39-22-10-23-40-78)99-62-60-93(126-99)109(74-31-14-6-15-32-74)89-56-58-91(124-89)111(76-35-18-8-19-36-76)95-64-68-101(128-95)116(120(85)132-107)80-43-26-12-27-44-80)105-70-66-97(130-105)113(82-48-50-83(134-2)51-49-82)98-67-71-106(131-98)119(104-55-53-88(84)123-104)86-73-108-115(79-41-24-11-25-42-79)100-63-61-94(127-100)110(75-33-16-7-17-34-75)90-57-59-92(125-90)112(77-37-20-9-21-38-77)96-65-69-102(129-96)117(121(86)133-108)81-45-28-13-29-46-81/h6-29,31-46,48-73,122,124-125,131-133H,3-5,30,47H2,1-2H3/b87-84-,88-84-,109-89-,109-93-,110-90-,110-94-,111-91-,111-95-,112-92-,112-96-,113-97-,113-98-,114-99-,114-107-,115-100-,115-108-,116-101-,117-102-,118-103-,118-105-,119-104-,119-106-,120-116-,121-117-.

What are the key properties of 2-[10-hexyl-20-(4-methoxyphenyl)-15-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?

2-[10-hexyl-20-(4-methoxyphenyl)-15-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin has a molecular weight of 1726.12 g/mol, XLogP of 31.06, 17 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[10-hexyl-20-(4-methoxyphenyl)-15-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin is sourced from PubChem (CID 44519560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).