[6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-[4-(4-hexylphenyl)benzoyl]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-(4-hexylphenyl)benzoate

C147H149N9O14 — CID 146672041

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-(4-hexylphenyl)benzoyl]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-(4-hexylphenyl)benzoate
SMILESCCCCCCc1ccc(-c2ccc(C(=O)Oc3ccc4cc([C@@H](C)NC(=O)c5cccc(C(=O)N[C@H](C)c6ccc7cc(OCCCCCCCCOc8ccc9cc([C@@H](C)NC(=O)c%10cccc(C(=O)N[C@H](C)c%11ccc%12cc(OCCCCCCCCOc%13ccc%14cc([C@@H](C)NC(=O)c%15cccc(C(=O)N[C@H](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
InChIInChI=1S/C147H149N9O14/c1-9-11-13-23-32-102-40-44-104(45-41-102)106-48-52-108(53-49-106)146(163)169-132-78-72-120-88-114(60-66-126(120)94-132)100(7)152-144(161)138-38-30-36-136(155-138)142(159)150-98(5)112-58-64-124-92-130(76-70-118(124)86-112)167-82-27-21-17-15-19-25-80-165-128-74-68-116-84-110(56-62-122(116)90-128)96(3)148-140(157)134-34-29-35-135(154-134)141(158)149-97(4)111-57-63-123-91-129(75-69-117(123)85-111)166-81-26-20-16-18-22-28-83-168-131-77-71-119-87-113(59-65-125(119)93-131)99(6)151-143(160)137-37-31-39-139(156-137)145(162)153-101(8)115-61-67-127-95-133(79-73-121(127)89-115)170-147(164)109-54-50-107(51-55-109)105-46-42-103(43-47-105)33-24-14-12-10-2/h29-31,34-79,84-101H,9-28,32-33,80-83H2,1-8H3,(H,148,157)(H,149,158)(H,150,159)(H,151,160)(H,152,161)(H,153,162)/t96-,97-,98-,99-,100-,101-/m1/s1
InChIKeySKGBELLAOGGTNE-DBCFCOKVSA-N
MW2265.86 g/mol
LogP33.35
Rot. Bonds56

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-(4-hexylphenyl)benzoyl]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-(4-hexylphenyl)benzoate

[6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-[4-(4-hexylphenyl)benzoyl]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-(4-hexylphenyl)benzoate (PubChem CID 146672041) has the molecular formula C147H149N9O14 and a molecular weight of 2265.86 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-(4-hexylphenyl)benzoyl]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-(4-hexylphenyl)benzoate.

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-(4-hexylphenyl)benzoyl]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-(4-hexylphenyl)benzoate
PubChem CID146672041
Molecular FormulaC147H149N9O14
Molecular Weight2265.86 g/mol
Exact Mass2264.12
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-(4-hexylphenyl)benzoyl]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-(4-hexylphenyl)benzoate
SMILESCCCCCCc1ccc(-c2ccc(C(=O)Oc3ccc4cc([C@@H](C)NC(=O)c5cccc(C(=O)N[C@H](C)c6ccc7cc(OCCCCCCCCOc8ccc9cc([C@@H](C)NC(=O)c%10cccc(C(=O)N[C@H](C)c%11ccc%12cc(OCCCCCCCCOc%13ccc%14cc([C@@H](C)NC(=O)c%15cccc(C(=O)N[C@H](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
InChIInChI=1S/C147H149N9O14/c1-9-11-13-23-32-102-40-44-104(45-41-102)106-48-52-108(53-49-106)146(163)169-132-78-72-120-88-114(60-66-126(120)94-132)100(7)152-144(161)138-38-30-36-136(155-138)142(159)150-98(5)112-58-64-124-92-130(76-70-118(124)86-112)167-82-27-21-17-15-19-25-80-165-128-74-68-116-84-110(56-62-122(116)90-128)96(3)148-140(157)134-34-29-35-135(154-134)141(158)149-97(4)111-57-63-123-91-129(75-69-117(123)85-111)166-81-26-20-16-18-22-28-83-168-131-77-71-119-87-113(59-65-125(119)93-131)99(6)151-143(160)137-37-31-39-139(156-137)145(162)153-101(8)115-61-67-127-95-133(79-73-121(127)89-115)170-147(164)109-54-50-107(51-55-109)105-46-42-103(43-47-105)33-24-14-12-10-2/h29-31,34-79,84-101H,9-28,32-33,80-83H2,1-8H3,(H,148,157)(H,149,158)(H,150,159)(H,151,160)(H,152,161)(H,153,162)/t96-,97-,98-,99-,100-,101-/m1/s1
InChIKeySKGBELLAOGGTNE-DBCFCOKVSA-N
XLogP33.35
TPSA302.79 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds56
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002265.86
LogP ≤ 533.35
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-(4-hexylphenyl)benzoyl]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-(4-hexylphenyl)benzoate with MolForge

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Related Compounds

4-(2-{[7-(Quinolin-2-ylmethoxy)-naphthalene-2-carbonyl]-amino}-ethyl)-benzoic acid
CID 9891157
4-({2-[6-(Quinolin-2-ylmethoxy)-naphthalen-2-yl]-propionylamino}-methyl)-benzoic acid
CID 44352424
Butan-2-yl 7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalene-2-carboxylate
CID 132022575
Ethyl 6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalene-2-carboxylate
CID 132022576
Methyl 7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalene-2-carboxylate
CID 132022577
Propan-2-yl 7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalene-2-carboxylate
CID 132022580
Ethyl 7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalene-2-carboxylate
CID 132022595
4-(2-{[7-(5-Phenyl-pyridin-2-ylmethoxy)-naphthalene-2-carbonyl]-amino}-ethyl)-benzoic acid
CID 44352316
methyl 4-[4-[2-[6-methoxy-7-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]phenyl]-2-(quinoline-2-carbonylamino)benzoate
CID 71624435
methyl 4-[4-[2-[6,7-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]phenyl]-2-(quinoline-2-carbonylamino)benzoate
CID 71624544
methyl 4-[4-[[6-methoxy-7-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]-2-(quinoline-2-carbonylamino)benzoate
CID 71624651
methyl 4-[4-[[6,7-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]-2-(quinoline-2-carbonylamino)benzoate
CID 71624767

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-(4-hexylphenyl)benzoyl]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-(4-hexylphenyl)benzoate?
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-(4-hexylphenyl)benzoyl]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-(4-hexylphenyl)benzoate (CID 146672041) 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-(4-hexylphenyl)benzoyl]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-(4-hexylphenyl)benzoate.
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-(4-hexylphenyl)benzoyl]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-(4-hexylphenyl)benzoate?
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-(4-hexylphenyl)benzoyl]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-(4-hexylphenyl)benzoate is CCCCCCc1ccc(-c2ccc(C(=O)Oc3ccc4cc([C@@H](C)NC(=O)c5cccc(C(=O)N[C@H](C)c6ccc7cc(OCCCCCCCCOc8ccc9cc([C@@H](C)NC(=O)c%10cccc(C(=O)N[C@H](C)c%11ccc%12cc(OCCCCCCCCOc%13ccc%14cc([C@@H](C)NC(=O)c%15cccc(C(=O)N[C@H](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.
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-(4-hexylphenyl)benzoyl]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-(4-hexylphenyl)benzoate?
The InChIKey is SKGBELLAOGGTNE-DBCFCOKVSA-N. The full InChI is InChI=1S/C147H149N9O14/c1-9-11-13-23-32-102-40-44-104(45-41-102)106-48-52-108(53-49-106)146(163)169-132-78-72-120-88-114(60-66-126(120)94-132)100(7)152-144(161)138-38-30-36-136(155-138)142(159)150-98(5)112-58-64-124-92-130(76-70-118(124)86-112)167-82-27-21-17-15-19-25-80-165-128-74-68-116-84-110(56-62-122(116)90-128)96(3)148-140(157)134-34-29-35-135(154-134)141(158)149-97(4)111-57-63-123-91-129(75-69-117(123)85-111)166-81-26-20-16-18-22-28-83-168-131-77-71-119-87-113(59-65-125(119)93-131)99(6)151-143(160)137-37-31-39-139(156-137)145(162)153-101(8)115-61-67-127-95-133(79-73-121(127)89-115)170-147(164)109-54-50-107(51-55-109)105-46-42-103(43-47-105)33-24-14-12-10-2/h29-31,34-79,84-101H,9-28,32-33,80-83H2,1-8H3,(H,148,157)(H,149,158)(H,150,159)(H,151,160)(H,152,161)(H,153,162)/t96-,97-,98-,99-,100-,101-/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-(4-hexylphenyl)benzoyl]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-(4-hexylphenyl)benzoate?
[6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-[8-[6-[(1R)-1-[[6-[[(1R)-1-[6-[4-(4-hexylphenyl)benzoyl]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-(4-hexylphenyl)benzoate has a molecular weight of 2265.86 g/mol, XLogP of 33.35, 56 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-(4-hexylphenyl)benzoyl]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-(4-hexylphenyl)benzoate is sourced from PubChem (CID 146672041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).