[6-[[[6-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-[6-(4-hexylbenzoyl)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-hexylbenzoate;lutetium(3+);tris(trifluoromethanesulfonate)

C136H136F9LuN8O23S3 — CID 146672045

IUPAC[6-[[[6-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-[6-(4-hexylbenzoyl)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-hexylbenzoate;lutetium(3+);tris(trifluoromethanesulfonate)
SMILESCCCCCCc1ccc(C(=O)Oc2ccc3cc(CNC(=O)c4cccc(C(=O)NC(C)c5ccc6cc(OCCCCCCCCOc7ccc8cc(CNC(=O)c9cccc(C(=O)NC(C)c%10ccc%11cc(OCCCCCCCCOc%12ccc%13cc(CCC(=O)c%14cccc(C(=O)NC(C)c%15ccc%16cc(OC(=O)c%17ccc(CCCCCC)cc%17)ccc%16c%15)n%14)ccc%13c%12)ccc%11c%10)n9)ccc8c7)ccc6c5)n4)ccc3c2)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]
InChIInChI=1S/C133H136N8O14.3CHF3O3S.Lu/c1-6-8-10-20-29-92-37-45-97(46-38-92)132(148)154-118-68-62-104-77-96(43-51-110(104)85-118)88-135-128(144)122-33-28-36-125(141-122)131(147)138-91(5)100-53-56-112-84-117(67-61-106(112)79-100)153-74-25-19-15-13-17-23-72-151-115-65-59-103-76-95(42-50-109(103)82-115)87-134-127(143)121-32-27-35-124(140-121)130(146)137-90(4)99-52-55-111-83-116(66-60-105(111)78-99)152-73-24-18-14-12-16-22-71-150-114-64-58-102-75-94(41-49-108(102)81-114)44-70-126(142)120-31-26-34-123(139-120)129(145)136-89(3)101-54-57-113-86-119(69-63-107(113)80-101)155-133(149)98-47-39-93(40-48-98)30-21-11-9-7-2;3*2-1(3,4)8(5,6)7;/h26-28,31-43,45-69,75-86,89-91H,6-25,29-30,44,70-74,87-88H2,1-5H3,(H,134,143)(H,135,144)(H,136,145)(H,137,146)(H,138,147);3*(H,5,6,7);/q;;;;+3/p-3
InChIKeyKKNIEGKGKNNVOW-UHFFFAOYSA-K
MW2692.77 g/mol
LogP29.37
Rot. Bonds55

About [6-[[[6-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-[6-(4-hexylbenzoyl)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-hexylbenzoate;lutetium(3+);tris(trifluoromethanesulfonate)

[6-[[[6-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-[6-(4-hexylbenzoyl)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-hexylbenzoate;lutetium(3+);tris(trifluoromethanesulfonate) (PubChem CID 146672045) has the molecular formula C136H136F9LuN8O23S3 and a molecular weight of 2692.77 g/mol. Its IUPAC name is [6-[[[6-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-[6-(4-hexylbenzoyl)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-hexylbenzoate;lutetium(3+);tris(trifluoromethanesulfonate).

Molecular Properties

Compound Name[6-[[[6-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-[6-(4-hexylbenzoyl)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-hexylbenzoate;lutetium(3+);tris(trifluoromethanesulfonate)
PubChem CID146672045
Molecular FormulaC136H136F9LuN8O23S3
Molecular Weight2692.77 g/mol
Exact Mass2690.81
IUPAC Name[6-[[[6-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-[6-(4-hexylbenzoyl)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-hexylbenzoate;lutetium(3+);tris(trifluoromethanesulfonate)
SMILESCCCCCCc1ccc(C(=O)Oc2ccc3cc(CNC(=O)c4cccc(C(=O)NC(C)c5ccc6cc(OCCCCCCCCOc7ccc8cc(CNC(=O)c9cccc(C(=O)NC(C)c%10ccc%11cc(OCCCCCCCCOc%12ccc%13cc(CCC(=O)c%14cccc(C(=O)NC(C)c%15ccc%16cc(OC(=O)c%17ccc(CCCCCC)cc%17)ccc%16c%15)n%14)ccc%13c%12)ccc%11c%10)n9)ccc8c7)ccc6c5)n4)ccc3c2)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]
InChIInChI=1S/C133H136N8O14.3CHF3O3S.Lu/c1-6-8-10-20-29-92-37-45-97(46-38-92)132(148)154-118-68-62-104-77-96(43-51-110(104)85-118)88-135-128(144)122-33-28-36-125(141-122)131(147)138-91(5)100-53-56-112-84-117(67-61-106(112)79-100)153-74-25-19-15-13-17-23-72-151-115-65-59-103-76-95(42-50-109(103)82-115)87-134-127(143)121-32-27-35-124(140-121)130(146)137-90(4)99-52-55-111-83-116(66-60-105(111)78-99)152-73-24-18-14-12-16-22-71-150-114-64-58-102-75-94(41-49-108(102)81-114)44-70-126(142)120-31-26-34-123(139-120)129(145)136-89(3)101-54-57-113-86-119(69-63-107(113)80-101)155-133(149)98-47-39-93(40-48-98)30-21-11-9-7-2;3*2-1(3,4)8(5,6)7;/h26-28,31-43,45-69,75-86,89-91H,6-25,29-30,44,70-74,87-88H2,1-5H3,(H,134,143)(H,135,144)(H,136,145)(H,137,146)(H,138,147);3*(H,5,6,7);/q;;;;+3/p-3
InChIKeyKKNIEGKGKNNVOW-UHFFFAOYSA-K
XLogP29.37
TPSA462.36 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds55
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002692.77
LogP ≤ 529.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

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'}

Analyze [6-[[[6-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-[6-(4-hexylbenzoyl)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-hexylbenzoate;lutetium(3+);tris(trifluoromethanesulfonate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-hexylbenzoyl)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-hexylbenzoate;lutetium(3+);tris(trifluoromethanesulfonate)?
The IUPAC name of [6-[[[6-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-[6-(4-hexylbenzoyl)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-hexylbenzoate;lutetium(3+);tris(trifluoromethanesulfonate) (CID 146672045) is [6-[[[6-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-[6-(4-hexylbenzoyl)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-hexylbenzoate;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-hexylbenzoyl)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-hexylbenzoate;lutetium(3+);tris(trifluoromethanesulfonate)?
The canonical SMILES for [6-[[[6-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-[6-(4-hexylbenzoyl)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-hexylbenzoate;lutetium(3+);tris(trifluoromethanesulfonate) is CCCCCCc1ccc(C(=O)Oc2ccc3cc(CNC(=O)c4cccc(C(=O)NC(C)c5ccc6cc(OCCCCCCCCOc7ccc8cc(CNC(=O)c9cccc(C(=O)NC(C)c%10ccc%11cc(OCCCCCCCCOc%12ccc%13cc(CCC(=O)c%14cccc(C(=O)NC(C)c%15ccc%16cc(OC(=O)c%17ccc(CCCCCC)cc%17)ccc%16c%15)n%14)ccc%13c%12)ccc%11c%10)n9)ccc8c7)ccc6c5)n4)ccc3c2)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-hexylbenzoyl)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-hexylbenzoate;lutetium(3+);tris(trifluoromethanesulfonate)?
The InChIKey is KKNIEGKGKNNVOW-UHFFFAOYSA-K. The full InChI is InChI=1S/C133H136N8O14.3CHF3O3S.Lu/c1-6-8-10-20-29-92-37-45-97(46-38-92)132(148)154-118-68-62-104-77-96(43-51-110(104)85-118)88-135-128(144)122-33-28-36-125(141-122)131(147)138-91(5)100-53-56-112-84-117(67-61-106(112)79-100)153-74-25-19-15-13-17-23-72-151-115-65-59-103-76-95(42-50-109(103)82-115)87-134-127(143)121-32-27-35-124(140-121)130(146)137-90(4)99-52-55-111-83-116(66-60-105(111)78-99)152-73-24-18-14-12-16-22-71-150-114-64-58-102-75-94(41-49-108(102)81-114)44-70-126(142)120-31-26-34-123(139-120)129(145)136-89(3)101-54-57-113-86-119(69-63-107(113)80-101)155-133(149)98-47-39-93(40-48-98)30-21-11-9-7-2;3*2-1(3,4)8(5,6)7;/h26-28,31-43,45-69,75-86,89-91H,6-25,29-30,44,70-74,87-88H2,1-5H3,(H,134,143)(H,135,144)(H,136,145)(H,137,146)(H,138,147);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-hexylbenzoyl)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-hexylbenzoate;lutetium(3+);tris(trifluoromethanesulfonate)?
[6-[[[6-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-[6-(4-hexylbenzoyl)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-hexylbenzoate;lutetium(3+);tris(trifluoromethanesulfonate) has a molecular weight of 2692.77 g/mol, XLogP of 29.37, 55 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-hexylbenzoyl)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-hexylbenzoate;lutetium(3+);tris(trifluoromethanesulfonate) is sourced from PubChem (CID 146672045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).