5,10,15-triphenyl-20-[4-[6-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]hexoxy]phenyl]-21,23-dihydroporphyrin

C94H70N8O2 — CID 101169177

About 5,10,15-triphenyl-20-[4-[6-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]hexoxy]phenyl]-21,23-dihydroporphyrin

5,10,15-triphenyl-20-[4-[6-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]hexoxy]phenyl]-21,23-dihydroporphyrin (PubChem CID 101169177) has the molecular formula C94H70N8O2 and a molecular weight of 1343.65 g/mol. Its IUPAC name is 5,10,15-triphenyl-20-[4-[6-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]hexoxy]phenyl]-21,23-dihydroporphyrin.

Molecular Properties

• Compound Name: 5,10,15-triphenyl-20-[4-[6-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]hexoxy]phenyl]-21,23-dihydroporphyrin
• PubChem CID: 101169177
• Molecular Formula: C94H70N8O2
• Molecular Weight: 1343.65 g/mol
• Exact Mass: 1342.56
• IUPAC Name: 5,10,15-triphenyl-20-[4-[6-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]hexoxy]phenyl]-21,23-dihydroporphyrin
• SMILES: C1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccc(OCCCCCCOc4ccc(-c5c6nc(c(-c7ccccc7)c7ccc([nH]7)c(-c7ccccc7)c7nc(c(-c8ccccc8)c8ccc5[nH]8)C=C7)C=C6)cc4)cc3)c3ccc([nH]3)c2-c2ccccc2)C=C1
• InChI: InChI=1S/C94H70N8O2/c1(21-59-103-69-39-35-67(36-40-69)93-83-55-51-79(99-83)89(63-27-13-5-14-28-63)75-47-43-71(95-75)87(61-23-9-3-10-24-61)72-44-48-76(96-72)90(64-29-15-6-16-30-64)80-52-56-84(93)100-80)2-22-60-104-70-41-37-68(38-42-70)94-85-57-53-81(101-85)91(65-31-17-7-18-32-65)77-49-45-73(97-77)88(62-25-11-4-12-26-62)74-46-50-78(98-74)92(66-33-19-8-20-34-66)82-54-58-86(94)102-82/h3-20,23-58,95,97,100,102H,1-2,21-22,59-60H2/b87-71-,87-72-,88-73-,88-74-,89-75-,89-79-,90-76-,90-80-,91-77-,91-81-,92-78-,92-82-,93-83-,93-84-,94-85-,94-86-
• InChIKey: MEXFJXHRAYKLPU-IRKGNNRUSA-N
• XLogP: 23.98
• TPSA: 133.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 17
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1343.65
LogP ≤ 5	23.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,10,15-triphenyl-20-[4-[6-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]hexoxy]phenyl]-21,23-dihydroporphyrin?

The IUPAC name of 5,10,15-triphenyl-20-[4-[6-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]hexoxy]phenyl]-21,23-dihydroporphyrin (CID 101169177) is 5,10,15-triphenyl-20-[4-[6-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]hexoxy]phenyl]-21,23-dihydroporphyrin.

What is the SMILES notation for 5,10,15-triphenyl-20-[4-[6-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]hexoxy]phenyl]-21,23-dihydroporphyrin?

The canonical SMILES for 5,10,15-triphenyl-20-[4-[6-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]hexoxy]phenyl]-21,23-dihydroporphyrin is C1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccc(OCCCCCCOc4ccc(-c5c6nc(c(-c7ccccc7)c7ccc([nH]7)c(-c7ccccc7)c7nc(c(-c8ccccc8)c8ccc5[nH]8)C=C7)C=C6)cc4)cc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.

What is the InChIKey of 5,10,15-triphenyl-20-[4-[6-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]hexoxy]phenyl]-21,23-dihydroporphyrin?

The InChIKey is MEXFJXHRAYKLPU-IRKGNNRUSA-N. The full InChI is InChI=1S/C94H70N8O2/c1(21-59-103-69-39-35-67(36-40-69)93-83-55-51-79(99-83)89(63-27-13-5-14-28-63)75-47-43-71(95-75)87(61-23-9-3-10-24-61)72-44-48-76(96-72)90(64-29-15-6-16-30-64)80-52-56-84(93)100-80)2-22-60-104-70-41-37-68(38-42-70)94-85-57-53-81(101-85)91(65-31-17-7-18-32-65)77-49-45-73(97-77)88(62-25-11-4-12-26-62)74-46-50-78(98-74)92(66-33-19-8-20-34-66)82-54-58-86(94)102-82/h3-20,23-58,95,97,100,102H,1-2,21-22,59-60H2/b87-71-,87-72-,88-73-,88-74-,89-75-,89-79-,90-76-,90-80-,91-77-,91-81-,92-78-,92-82-,93-83-,93-84-,94-85-,94-86-.

What are the key properties of 5,10,15-triphenyl-20-[4-[6-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]hexoxy]phenyl]-21,23-dihydroporphyrin?

5,10,15-triphenyl-20-[4-[6-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]hexoxy]phenyl]-21,23-dihydroporphyrin has a molecular weight of 1343.65 g/mol, XLogP of 23.98, 17 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5,10,15-triphenyl-20-[4-[6-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]hexoxy]phenyl]-21,23-dihydroporphyrin is sourced from PubChem (CID 101169177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).