6-[[4-[15-[4-[[29,30-dihydroxy-20-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,10,16,24-tetraoxo-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl]methyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methyl]-29,30-dihydroxy-20-[2-(2-propoxyethoxy)ethyl]-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaene-2,10,16,24-tetrone

C96H110N16O17 — CID 122450548

About 6-[[4-[15-[4-[[29,30-dihydroxy-20-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,10,16,24-tetraoxo-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl]methyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methyl]-29,30-dihydroxy-20-[2-(2-propoxyethoxy)ethyl]-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaene-2,10,16,24-tetrone

6-[[4-[15-[4-[[29,30-dihydroxy-20-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,10,16,24-tetraoxo-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl]methyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methyl]-29,30-dihydroxy-20-[2-(2-propoxyethoxy)ethyl]-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaene-2,10,16,24-tetrone (PubChem CID 122450548) has the molecular formula C96H110N16O17 and a molecular weight of 1760.03 g/mol. Its IUPAC name is 6-[[4-[15-[4-[[29,30-dihydroxy-20-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,10,16,24-tetraoxo-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl]methyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methyl]-29,30-dihydroxy-20-[2-(2-propoxyethoxy)ethyl]-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaene-2,10,16,24-tetrone.

Molecular Properties

• Compound Name: 6-[[4-[15-[4-[[29,30-dihydroxy-20-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,10,16,24-tetraoxo-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl]methyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methyl]-29,30-dihydroxy-20-[2-(2-propoxyethoxy)ethyl]-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaene-2,10,16,24-tetrone
• PubChem CID: 122450548
• Molecular Formula: C96H110N16O17
• Molecular Weight: 1760.03 g/mol
• Exact Mass: 1758.82
• IUPAC Name: 6-[[4-[15-[4-[[29,30-dihydroxy-20-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,10,16,24-tetraoxo-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl]methyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methyl]-29,30-dihydroxy-20-[2-(2-propoxyethoxy)ethyl]-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaene-2,10,16,24-tetrone
• SMILES: CCCOCCOCCN1CCNC(=O)c2cccc(c2O)C(=O)NCCN(Cc2ccc(-c3c4nc(cc5ccc([nH]5)c(-c5ccc(CN6CCNC(=O)c7cccc(c7O)C(=O)NCCN(CCOCCOCCOC)CCNC(=O)c7cccc(c7O)C(=O)NCC6)cc5)c5nc(cc6ccc3[nH]6)C=C5)C=C4)cc2)CCNC(=O)c2cccc(c2O)C(=O)NCC1
• InChI: InChI=1S/C96H110N16O17/c1-3-50-126-55-56-127-51-48-109-40-32-97-89(117)71-8-4-12-75(85(71)113)93(121)101-36-44-111(45-37-102-94(122)76-13-5-9-72(86(76)114)90(118)98-33-41-109)61-63-16-20-65(21-17-63)83-79-28-24-67(105-79)59-69-26-30-81(107-69)84(82-31-27-70(108-82)60-68-25-29-80(83)106-68)66-22-18-64(19-23-66)62-112-46-38-103-95(123)77-14-6-10-73(87(77)115)91(119)99-34-42-110(49-52-128-57-58-129-54-53-125-2)43-35-100-92(120)74-11-7-15-78(88(74)116)96(124)104-39-47-112/h4-31,59-60,105,108,113-116H,3,32-58,61-62H2,1-2H3,(H,97,117)(H,98,118)(H,99,119)(H,100,120)(H,101,121)(H,102,122)(H,103,123)(H,104,124)/b67-59-,68-60-,69-59-,70-60-,83-79-,83-80-,84-81-,84-82-
• InChIKey: ABKOULMMLTYWOC-NDJQNZSCSA-N
• XLogP: 7.81
• TPSA: 430.19 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 23
• Rotatable Bonds: 23
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1760.03
LogP ≤ 5	7.81
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[15-[4-[[29,30-dihydroxy-20-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,10,16,24-tetraoxo-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl]methyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methyl]-29,30-dihydroxy-20-[2-(2-propoxyethoxy)ethyl]-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaene-2,10,16,24-tetrone?

The IUPAC name of 6-[[4-[15-[4-[[29,30-dihydroxy-20-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,10,16,24-tetraoxo-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl]methyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methyl]-29,30-dihydroxy-20-[2-(2-propoxyethoxy)ethyl]-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaene-2,10,16,24-tetrone (CID 122450548) is 6-[[4-[15-[4-[[29,30-dihydroxy-20-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,10,16,24-tetraoxo-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl]methyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methyl]-29,30-dihydroxy-20-[2-(2-propoxyethoxy)ethyl]-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaene-2,10,16,24-tetrone.

What is the SMILES notation for 6-[[4-[15-[4-[[29,30-dihydroxy-20-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,10,16,24-tetraoxo-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl]methyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methyl]-29,30-dihydroxy-20-[2-(2-propoxyethoxy)ethyl]-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaene-2,10,16,24-tetrone?

The canonical SMILES for 6-[[4-[15-[4-[[29,30-dihydroxy-20-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,10,16,24-tetraoxo-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl]methyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methyl]-29,30-dihydroxy-20-[2-(2-propoxyethoxy)ethyl]-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaene-2,10,16,24-tetrone is CCCOCCOCCN1CCNC(=O)c2cccc(c2O)C(=O)NCCN(Cc2ccc(-c3c4nc(cc5ccc([nH]5)c(-c5ccc(CN6CCNC(=O)c7cccc(c7O)C(=O)NCCN(CCOCCOCCOC)CCNC(=O)c7cccc(c7O)C(=O)NCC6)cc5)c5nc(cc6ccc3[nH]6)C=C5)C=C4)cc2)CCNC(=O)c2cccc(c2O)C(=O)NCC1.

What is the InChIKey of 6-[[4-[15-[4-[[29,30-dihydroxy-20-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,10,16,24-tetraoxo-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl]methyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methyl]-29,30-dihydroxy-20-[2-(2-propoxyethoxy)ethyl]-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaene-2,10,16,24-tetrone?

The InChIKey is ABKOULMMLTYWOC-NDJQNZSCSA-N. The full InChI is InChI=1S/C96H110N16O17/c1-3-50-126-55-56-127-51-48-109-40-32-97-89(117)71-8-4-12-75(85(71)113)93(121)101-36-44-111(45-37-102-94(122)76-13-5-9-72(86(76)114)90(118)98-33-41-109)61-63-16-20-65(21-17-63)83-79-28-24-67(105-79)59-69-26-30-81(107-69)84(82-31-27-70(108-82)60-68-25-29-80(83)106-68)66-22-18-64(19-23-66)62-112-46-38-103-95(123)77-14-6-10-73(87(77)115)91(119)99-34-42-110(49-52-128-57-58-129-54-53-125-2)43-35-100-92(120)74-11-7-15-78(88(74)116)96(124)104-39-47-112/h4-31,59-60,105,108,113-116H,3,32-58,61-62H2,1-2H3,(H,97,117)(H,98,118)(H,99,119)(H,100,120)(H,101,121)(H,102,122)(H,103,123)(H,104,124)/b67-59-,68-60-,69-59-,70-60-,83-79-,83-80-,84-81-,84-82-.

What are the key properties of 6-[[4-[15-[4-[[29,30-dihydroxy-20-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,10,16,24-tetraoxo-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl]methyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methyl]-29,30-dihydroxy-20-[2-(2-propoxyethoxy)ethyl]-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaene-2,10,16,24-tetrone?

6-[[4-[15-[4-[[29,30-dihydroxy-20-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,10,16,24-tetraoxo-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl]methyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methyl]-29,30-dihydroxy-20-[2-(2-propoxyethoxy)ethyl]-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaene-2,10,16,24-tetrone has a molecular weight of 1760.03 g/mol, XLogP of 7.81, 23 rotatable bonds, 14 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-[15-[4-[[29,30-dihydroxy-20-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,10,16,24-tetraoxo-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl]methyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methyl]-29,30-dihydroxy-20-[2-(2-propoxyethoxy)ethyl]-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaene-2,10,16,24-tetrone is sourced from PubChem (CID 122450548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).