[6-[[[6-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-[6-[4-(4-hexylphenyl)benzoyl]oxynaphthalen-2-yl]ethylcarbamoyl]-2-pyridinyl]-3-oxopropyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl] 4-(4-hexylphenyl)benzoate;lutetium(3+);tris(trifluoromethanesulfonate)

C148H144F9LuN8O23S3 — CID 146672046

About [6-[[[6-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-[6-[4-(4-hexylphenyl)benzoyl]oxynaphthalen-2-yl]ethylcarbamoyl]-2-pyridinyl]-3-oxopropyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl] 4-(4-hexylphenyl)benzoate;lutetium(3+);tris(trifluoromethanesulfonate)

[6-[[[6-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-[6-[4-(4-hexylphenyl)benzoyl]oxynaphthalen-2-yl]ethylcarbamoyl]-2-pyridinyl]-3-oxopropyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl] 4-(4-hexylphenyl)benzoate;lutetium(3+);tris(trifluoromethanesulfonate) (PubChem CID 146672046) has the molecular formula C148H144F9LuN8O23S3 and a molecular weight of 2844.96 g/mol. Its IUPAC name is [6-[[[6-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-[6-[4-(4-hexylphenyl)benzoyl]oxynaphthalen-2-yl]ethylcarbamoyl]-2-pyridinyl]-3-oxopropyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl] 4-(4-hexylphenyl)benzoate;lutetium(3+);tris(trifluoromethanesulfonate).

Molecular Properties

• Compound Name: [6-[[[6-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-[6-[4-(4-hexylphenyl)benzoyl]oxynaphthalen-2-yl]ethylcarbamoyl]-2-pyridinyl]-3-oxopropyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl] 4-(4-hexylphenyl)benzoate;lutetium(3+);tris(trifluoromethanesulfonate)
• PubChem CID: 146672046
• Molecular Formula: C148H144F9LuN8O23S3
• Molecular Weight: 2844.96 g/mol
• Exact Mass: 2842.88
• IUPAC Name: [6-[[[6-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-[6-[4-(4-hexylphenyl)benzoyl]oxynaphthalen-2-yl]ethylcarbamoyl]-2-pyridinyl]-3-oxopropyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl] 4-(4-hexylphenyl)benzoate;lutetium(3+);tris(trifluoromethanesulfonate)
• SMILES: CCCCCCc1ccc(-c2ccc(C(=O)Oc3ccc4cc(CNC(=O)c5cccc(C(=O)NC(C)c6ccc7cc(OCCCCCCCCOc8ccc9cc(CNC(=O)c%10cccc(C(=O)NC(C)c%11ccc%12cc(OCCCCCCCCOc%13ccc%14cc(CCC(=O)c%15cccc(C(=O)NC(C)c%16ccc%17cc(OC(=O)c%18ccc(-c%19ccc(CCCCCC)cc%19)cc%18)ccc%17c%16)n%15)ccc%14c%13)ccc%12c%11)n%10)ccc9c8)ccc7c6)n5)ccc4c3)cc2)cc1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Lu+3]
• InChI: InChI=1S/C145H144N8O14.3CHF3O3S.Lu/c1-6-8-10-20-29-100-37-45-105(46-38-100)107-52-56-109(57-53-107)144(160)166-130-76-70-116-85-104(43-51-122(116)93-130)96-147-140(156)134-33-28-36-137(153-134)143(159)150-99(5)112-61-64-124-92-129(75-69-118(124)87-112)165-82-25-19-15-13-17-23-80-163-127-73-67-115-84-103(42-50-121(115)90-127)95-146-139(155)133-32-27-35-136(152-133)142(158)149-98(4)111-60-63-123-91-128(74-68-117(123)86-111)164-81-24-18-14-12-16-22-79-162-126-72-66-114-83-102(41-49-120(114)89-126)44-78-138(154)132-31-26-34-135(151-132)141(157)148-97(3)113-62-65-125-94-131(77-71-119(125)88-113)167-145(161)110-58-54-108(55-59-110)106-47-39-101(40-48-106)30-21-11-9-7-2;3*2-1(3,4)8(5,6)7;/h26-28,31-43,45-77,83-94,97-99H,6-25,29-30,44,78-82,95-96H2,1-5H3,(H,146,155)(H,147,156)(H,148,157)(H,149,158)(H,150,159);3*(H,5,6,7);/q;;;;+3/p-3
• InChIKey: ADRYZMBOZZEHSO-UHFFFAOYSA-K
• XLogP: 32.71
• TPSA: 462.36 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 57
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2844.96
LogP ≤ 5	32.71
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [6-[[[6-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-[6-[4-(4-hexylphenyl)benzoyl]oxynaphthalen-2-yl]ethylcarbamoyl]-2-pyridinyl]-3-oxopropyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl] 4-(4-hexylphenyl)benzoate;lutetium(3+);tris(trifluoromethanesulfonate)?

The IUPAC name of [6-[[[6-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-[6-[4-(4-hexylphenyl)benzoyl]oxynaphthalen-2-yl]ethylcarbamoyl]-2-pyridinyl]-3-oxopropyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl] 4-(4-hexylphenyl)benzoate;lutetium(3+);tris(trifluoromethanesulfonate) (CID 146672046) is [6-[[[6-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-[6-[4-(4-hexylphenyl)benzoyl]oxynaphthalen-2-yl]ethylcarbamoyl]-2-pyridinyl]-3-oxopropyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl] 4-(4-hexylphenyl)benzoate;lutetium(3+);tris(trifluoromethanesulfonate).

What is the SMILES notation for [6-[[[6-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-[6-[4-(4-hexylphenyl)benzoyl]oxynaphthalen-2-yl]ethylcarbamoyl]-2-pyridinyl]-3-oxopropyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl] 4-(4-hexylphenyl)benzoate;lutetium(3+);tris(trifluoromethanesulfonate)?

The canonical SMILES for [6-[[[6-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-[6-[4-(4-hexylphenyl)benzoyl]oxynaphthalen-2-yl]ethylcarbamoyl]-2-pyridinyl]-3-oxopropyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl] 4-(4-hexylphenyl)benzoate;lutetium(3+);tris(trifluoromethanesulfonate) is CCCCCCc1ccc(-c2ccc(C(=O)Oc3ccc4cc(CNC(=O)c5cccc(C(=O)NC(C)c6ccc7cc(OCCCCCCCCOc8ccc9cc(CNC(=O)c%10cccc(C(=O)NC(C)c%11ccc%12cc(OCCCCCCCCOc%13ccc%14cc(CCC(=O)c%15cccc(C(=O)NC(C)c%16ccc%17cc(OC(=O)c%18ccc(-c%19ccc(CCCCCC)cc%19)cc%18)ccc%17c%16)n%15)ccc%14c%13)ccc%12c%11)n%10)ccc9c8)ccc7c6)n5)ccc4c3)cc2)cc1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Lu+3].

What is the InChIKey of [6-[[[6-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-[6-[4-(4-hexylphenyl)benzoyl]oxynaphthalen-2-yl]ethylcarbamoyl]-2-pyridinyl]-3-oxopropyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl] 4-(4-hexylphenyl)benzoate;lutetium(3+);tris(trifluoromethanesulfonate)?

The InChIKey is ADRYZMBOZZEHSO-UHFFFAOYSA-K. The full InChI is InChI=1S/C145H144N8O14.3CHF3O3S.Lu/c1-6-8-10-20-29-100-37-45-105(46-38-100)107-52-56-109(57-53-107)144(160)166-130-76-70-116-85-104(43-51-122(116)93-130)96-147-140(156)134-33-28-36-137(153-134)143(159)150-99(5)112-61-64-124-92-129(75-69-118(124)87-112)165-82-25-19-15-13-17-23-80-163-127-73-67-115-84-103(42-50-121(115)90-127)95-146-139(155)133-32-27-35-136(152-133)142(158)149-98(4)111-60-63-123-91-128(74-68-117(123)86-111)164-81-24-18-14-12-16-22-79-162-126-72-66-114-83-102(41-49-120(114)89-126)44-78-138(154)132-31-26-34-135(151-132)141(157)148-97(3)113-62-65-125-94-131(77-71-119(125)88-113)167-145(161)110-58-54-108(55-59-110)106-47-39-101(40-48-106)30-21-11-9-7-2;3*2-1(3,4)8(5,6)7;/h26-28,31-43,45-77,83-94,97-99H,6-25,29-30,44,78-82,95-96H2,1-5H3,(H,146,155)(H,147,156)(H,148,157)(H,149,158)(H,150,159);3*(H,5,6,7);/q;;;;+3/p-3.

What are the key properties of [6-[[[6-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-[6-[4-(4-hexylphenyl)benzoyl]oxynaphthalen-2-yl]ethylcarbamoyl]-2-pyridinyl]-3-oxopropyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl] 4-(4-hexylphenyl)benzoate;lutetium(3+);tris(trifluoromethanesulfonate)?

[6-[[[6-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-[6-[4-(4-hexylphenyl)benzoyl]oxynaphthalen-2-yl]ethylcarbamoyl]-2-pyridinyl]-3-oxopropyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl] 4-(4-hexylphenyl)benzoate;lutetium(3+);tris(trifluoromethanesulfonate) has a molecular weight of 2844.96 g/mol, XLogP of 32.71, 57 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[[[6-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-[6-[4-(4-hexylphenyl)benzoyl]oxynaphthalen-2-yl]ethylcarbamoyl]-2-pyridinyl]-3-oxopropyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl] 4-(4-hexylphenyl)benzoate;lutetium(3+);tris(trifluoromethanesulfonate) is sourced from PubChem (CID 146672046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).