[6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-(4-hexylbenzoyl)oxynaphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl] 4-hexylbenzoate

C135H141N9O14 — CID 146672055

IUPAC[6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-(4-hexylbenzoyl)oxynaphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl] 4-hexylbenzoate
SMILESCCCCCCc1ccc(C(=O)Oc2ccc3cc([C@@H](C)NC(=O)c4cccc(C(=O)N[C@H](C)c5ccc6cc(OCCCCCCCCOc7ccc8cc([C@@H](C)NC(=O)c9cccc(C(=O)N[C@H](C)c%10ccc%11cc(OCCCCCCCCOc%12ccc%13cc([C@@H](C)NC(=O)c%14cccc(C(=O)N[C@H](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
InChIInChI=1S/C135H141N9O14/c1-9-11-13-23-32-94-40-44-96(45-41-94)134(151)157-120-70-64-108-80-102(52-58-114(108)86-120)92(7)140-132(149)126-38-30-36-124(143-126)130(147)138-90(5)100-50-56-112-84-118(68-62-106(112)78-100)155-74-27-21-17-15-19-25-72-153-116-66-60-104-76-98(48-54-110(104)82-116)88(3)136-128(145)122-34-29-35-123(142-122)129(146)137-89(4)99-49-55-111-83-117(67-61-105(111)77-99)154-73-26-20-16-18-22-28-75-156-119-69-63-107-79-101(51-57-113(107)85-119)91(6)139-131(148)125-37-31-39-127(144-125)133(150)141-93(8)103-53-59-115-87-121(71-65-109(115)81-103)158-135(152)97-46-42-95(43-47-97)33-24-14-12-10-2/h29-31,34-71,76-93H,9-28,32-33,72-75H2,1-8H3,(H,136,145)(H,137,146)(H,138,147)(H,139,148)(H,140,149)(H,141,150)/t88-,89-,90-,91-,92-,93-/m1/s1
InChIKeyCMEDVTSFKZDQPQ-MVVGOKBQSA-N
MW2113.66 g/mol
LogP30.02
Rot. Bonds54

About [6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-(4-hexylbenzoyl)oxynaphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl] 4-hexylbenzoate

[6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-(4-hexylbenzoyl)oxynaphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl] 4-hexylbenzoate (PubChem CID 146672055) has the molecular formula C135H141N9O14 and a molecular weight of 2113.66 g/mol. Its IUPAC name is [6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-(4-hexylbenzoyl)oxynaphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl] 4-hexylbenzoate.

Molecular Properties

Compound Name[6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-(4-hexylbenzoyl)oxynaphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl] 4-hexylbenzoate
PubChem CID146672055
Molecular FormulaC135H141N9O14
Molecular Weight2113.66 g/mol
Exact Mass2112.06
IUPAC Name[6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-(4-hexylbenzoyl)oxynaphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl] 4-hexylbenzoate
SMILESCCCCCCc1ccc(C(=O)Oc2ccc3cc([C@@H](C)NC(=O)c4cccc(C(=O)N[C@H](C)c5ccc6cc(OCCCCCCCCOc7ccc8cc([C@@H](C)NC(=O)c9cccc(C(=O)N[C@H](C)c%10ccc%11cc(OCCCCCCCCOc%12ccc%13cc([C@@H](C)NC(=O)c%14cccc(C(=O)N[C@H](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
InChIInChI=1S/C135H141N9O14/c1-9-11-13-23-32-94-40-44-96(45-41-94)134(151)157-120-70-64-108-80-102(52-58-114(108)86-120)92(7)140-132(149)126-38-30-36-124(143-126)130(147)138-90(5)100-50-56-112-84-118(68-62-106(112)78-100)155-74-27-21-17-15-19-25-72-153-116-66-60-104-76-98(48-54-110(104)82-116)88(3)136-128(145)122-34-29-35-123(142-122)129(146)137-89(4)99-49-55-111-83-117(67-61-105(111)77-99)154-73-26-20-16-18-22-28-75-156-119-69-63-107-79-101(51-57-113(107)85-119)91(6)139-131(148)125-37-31-39-127(144-125)133(150)141-93(8)103-53-59-115-87-121(71-65-109(115)81-103)158-135(152)97-46-42-95(43-47-97)33-24-14-12-10-2/h29-31,34-71,76-93H,9-28,32-33,72-75H2,1-8H3,(H,136,145)(H,137,146)(H,138,147)(H,139,148)(H,140,149)(H,141,150)/t88-,89-,90-,91-,92-,93-/m1/s1
InChIKeyCMEDVTSFKZDQPQ-MVVGOKBQSA-N
XLogP30.02
TPSA302.79 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds54
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002113.66
LogP ≤ 530.02
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze [6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-(4-hexylbenzoyl)oxynaphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl] 4-hexylbenzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-(4-hexylbenzoyl)oxynaphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl] 4-hexylbenzoate?
The IUPAC name of [6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-(4-hexylbenzoyl)oxynaphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl] 4-hexylbenzoate (CID 146672055) is [6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-(4-hexylbenzoyl)oxynaphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl] 4-hexylbenzoate.
What is the SMILES notation for [6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-(4-hexylbenzoyl)oxynaphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl] 4-hexylbenzoate?
The canonical SMILES for [6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-(4-hexylbenzoyl)oxynaphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl] 4-hexylbenzoate is CCCCCCc1ccc(C(=O)Oc2ccc3cc([C@@H](C)NC(=O)c4cccc(C(=O)N[C@H](C)c5ccc6cc(OCCCCCCCCOc7ccc8cc([C@@H](C)NC(=O)c9cccc(C(=O)N[C@H](C)c%10ccc%11cc(OCCCCCCCCOc%12ccc%13cc([C@@H](C)NC(=O)c%14cccc(C(=O)N[C@H](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.
What is the InChIKey of [6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-(4-hexylbenzoyl)oxynaphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl] 4-hexylbenzoate?
The InChIKey is CMEDVTSFKZDQPQ-MVVGOKBQSA-N. The full InChI is InChI=1S/C135H141N9O14/c1-9-11-13-23-32-94-40-44-96(45-41-94)134(151)157-120-70-64-108-80-102(52-58-114(108)86-120)92(7)140-132(149)126-38-30-36-124(143-126)130(147)138-90(5)100-50-56-112-84-118(68-62-106(112)78-100)155-74-27-21-17-15-19-25-72-153-116-66-60-104-76-98(48-54-110(104)82-116)88(3)136-128(145)122-34-29-35-123(142-122)129(146)137-89(4)99-49-55-111-83-117(67-61-105(111)77-99)154-73-26-20-16-18-22-28-75-156-119-69-63-107-79-101(51-57-113(107)85-119)91(6)139-131(148)125-37-31-39-127(144-125)133(150)141-93(8)103-53-59-115-87-121(71-65-109(115)81-103)158-135(152)97-46-42-95(43-47-97)33-24-14-12-10-2/h29-31,34-71,76-93H,9-28,32-33,72-75H2,1-8H3,(H,136,145)(H,137,146)(H,138,147)(H,139,148)(H,140,149)(H,141,150)/t88-,89-,90-,91-,92-,93-/m1/s1.
What are the key properties of [6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-(4-hexylbenzoyl)oxynaphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl] 4-hexylbenzoate?
[6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-(4-hexylbenzoyl)oxynaphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl] 4-hexylbenzoate has a molecular weight of 2113.66 g/mol, XLogP of 30.02, 54 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-(4-hexylbenzoyl)oxynaphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]carbamoyl]pyridine-2-carbonyl]amino]ethyl]naphthalen-2-yl] 4-hexylbenzoate is sourced from PubChem (CID 146672055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).