anthracen-9-ylmethyl N-[6-[[16-hydroxy-4,4-bis[12-hydroxy-9,9-bis(3-hydroxypropyl)dodecyl]-13,13-bis(3-hydroxypropyl)hexadecanoyl]amino]hexyl]carbamate;anthracen-9-ylmethyl N-[6-[[16-phenylmethoxy-4-[12-phenylmethoxy-9,9-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-4-[11-phenylmethoxy-8,8-bis(3-phenylmethoxypropyl)undec-3-ynyl]-13,13-bis(3-phenylmethoxypropyl)hexadec-8-ynoyl]amino]hexyl]carbamate;methane

C223H324N4O24 — CID 161442022

IUPACanthracen-9-ylmethyl N-[6-[[16-hydroxy-4,4-bis[12-hydroxy-9,9-bis(3-hydroxypropyl)dodecyl]-13,13-bis(3-hydroxypropyl)hexadecanoyl]amino]hexyl]carbamate;anthracen-9-ylmethyl N-[6-[[16-phenylmethoxy-4-[12-phenylmethoxy-9,9-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-4-[11-phenylmethoxy-8,8-bis(3-phenylmethoxypropyl)undec-3-ynyl]-13,13-bis(3-phenylmethoxypropyl)hexadec-8-ynoyl]amino]hexyl]carbamate;methane
SMILESC.O=C(CCC(CCC#CCCCC(CCCOCc1ccccc1)(CCCOCc1ccccc1)CCCOCc1ccccc1)(CCCC#CCCCC(CCCOCc1ccccc1)(CCCOCc1ccccc1)CCCOCc1ccccc1)CCCC#CCCCC(CCCOCc1ccccc1)(CCCOCc1ccccc1)CCCOCc1ccccc1)NCCCCCCNC(=O)OCc1c2ccccc2cc2ccccc12.O=C(CCC(CCCCCCCCC(CCCO)(CCCO)CCCO)(CCCCCCCCC(CCCO)(CCCO)CCCO)CCCCCCCCC(CCCO)(CCCO)CCCO)NCCCCCCNC(=O)OCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C142H180N2O12.C80H140N2O12.CH4/c145-137(143-101-51-12-13-52-102-144-138(146)156-122-136-134-82-43-41-80-132(134)112-133-81-42-44-83-135(133)136)84-100-142(90-50-11-5-10-47-87-141(97-59-109-153-119-129-74-35-20-36-75-129,98-60-110-154-120-130-76-37-21-38-77-130)99-61-111-155-121-131-78-39-22-40-79-131,88-48-8-3-1-6-45-85-139(91-53-103-147-113-123-62-23-14-24-63-123,92-54-104-148-114-124-64-25-15-26-65-124)93-55-105-149-115-125-66-27-16-28-67-125)89-49-9-4-2-7-46-86-140(94-56-106-150-116-126-68-29-17-30-69-126,95-57-107-151-117-127-70-31-18-32-71-127)96-58-108-152-118-128-72-33-19-34-73-128;83-59-27-47-77(48-28-60-84,49-29-61-85)41-19-7-1-4-10-22-44-80(45-23-11-5-2-8-20-42-78(50-30-62-86,51-31-63-87)52-32-64-88,46-24-12-6-3-9-21-43-79(53-33-65-89,54-34-66-90)55-35-67-91)56-40-75(92)81-57-25-13-14-26-58-82-76(93)94-69-74-72-38-17-15-36-70(72)68-71-37-16-18-39-73(71)74;/h14-44,62-83,112H,6-10,12-13,45-61,84-111,113-122H2,(H,143,145)(H,144,146);15-18,36-39,68,83-91H,1-14,19-35,40-67,69H2,(H,81,92)(H,82,93);1H4
InChIKeyVZJZSKMLBDCMDY-UHFFFAOYSA-N
MW3445.05 g/mol
LogP51.81
Rot. Bonds149

About anthracen-9-ylmethyl N-[6-[[16-hydroxy-4,4-bis[12-hydroxy-9,9-bis(3-hydroxypropyl)dodecyl]-13,13-bis(3-hydroxypropyl)hexadecanoyl]amino]hexyl]carbamate;anthracen-9-ylmethyl N-[6-[[16-phenylmethoxy-4-[12-phenylmethoxy-9,9-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-4-[11-phenylmethoxy-8,8-bis(3-phenylmethoxypropyl)undec-3-ynyl]-13,13-bis(3-phenylmethoxypropyl)hexadec-8-ynoyl]amino]hexyl]carbamate;methane

anthracen-9-ylmethyl N-[6-[[16-hydroxy-4,4-bis[12-hydroxy-9,9-bis(3-hydroxypropyl)dodecyl]-13,13-bis(3-hydroxypropyl)hexadecanoyl]amino]hexyl]carbamate;anthracen-9-ylmethyl N-[6-[[16-phenylmethoxy-4-[12-phenylmethoxy-9,9-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-4-[11-phenylmethoxy-8,8-bis(3-phenylmethoxypropyl)undec-3-ynyl]-13,13-bis(3-phenylmethoxypropyl)hexadec-8-ynoyl]amino]hexyl]carbamate;methane (PubChem CID 161442022) has the molecular formula C223H324N4O24 and a molecular weight of 3445.05 g/mol. Its IUPAC name is anthracen-9-ylmethyl N-[6-[[16-hydroxy-4,4-bis[12-hydroxy-9,9-bis(3-hydroxypropyl)dodecyl]-13,13-bis(3-hydroxypropyl)hexadecanoyl]amino]hexyl]carbamate;anthracen-9-ylmethyl N-[6-[[16-phenylmethoxy-4-[12-phenylmethoxy-9,9-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-4-[11-phenylmethoxy-8,8-bis(3-phenylmethoxypropyl)undec-3-ynyl]-13,13-bis(3-phenylmethoxypropyl)hexadec-8-ynoyl]amino]hexyl]carbamate;methane.

Molecular Properties

Compound Nameanthracen-9-ylmethyl N-[6-[[16-hydroxy-4,4-bis[12-hydroxy-9,9-bis(3-hydroxypropyl)dodecyl]-13,13-bis(3-hydroxypropyl)hexadecanoyl]amino]hexyl]carbamate;anthracen-9-ylmethyl N-[6-[[16-phenylmethoxy-4-[12-phenylmethoxy-9,9-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-4-[11-phenylmethoxy-8,8-bis(3-phenylmethoxypropyl)undec-3-ynyl]-13,13-bis(3-phenylmethoxypropyl)hexadec-8-ynoyl]amino]hexyl]carbamate;methane
PubChem CID161442022
Molecular FormulaC223H324N4O24
Molecular Weight3445.05 g/mol
Exact Mass3442.43
IUPAC Nameanthracen-9-ylmethyl N-[6-[[16-hydroxy-4,4-bis[12-hydroxy-9,9-bis(3-hydroxypropyl)dodecyl]-13,13-bis(3-hydroxypropyl)hexadecanoyl]amino]hexyl]carbamate;anthracen-9-ylmethyl N-[6-[[16-phenylmethoxy-4-[12-phenylmethoxy-9,9-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-4-[11-phenylmethoxy-8,8-bis(3-phenylmethoxypropyl)undec-3-ynyl]-13,13-bis(3-phenylmethoxypropyl)hexadec-8-ynoyl]amino]hexyl]carbamate;methane
SMILESC.O=C(CCC(CCC#CCCCC(CCCOCc1ccccc1)(CCCOCc1ccccc1)CCCOCc1ccccc1)(CCCC#CCCCC(CCCOCc1ccccc1)(CCCOCc1ccccc1)CCCOCc1ccccc1)CCCC#CCCCC(CCCOCc1ccccc1)(CCCOCc1ccccc1)CCCOCc1ccccc1)NCCCCCCNC(=O)OCc1c2ccccc2cc2ccccc12.O=C(CCC(CCCCCCCCC(CCCO)(CCCO)CCCO)(CCCCCCCCC(CCCO)(CCCO)CCCO)CCCCCCCCC(CCCO)(CCCO)CCCO)NCCCCCCNC(=O)OCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C142H180N2O12.C80H140N2O12.CH4/c145-137(143-101-51-12-13-52-102-144-138(146)156-122-136-134-82-43-41-80-132(134)112-133-81-42-44-83-135(133)136)84-100-142(90-50-11-5-10-47-87-141(97-59-109-153-119-129-74-35-20-36-75-129,98-60-110-154-120-130-76-37-21-38-77-130)99-61-111-155-121-131-78-39-22-40-79-131,88-48-8-3-1-6-45-85-139(91-53-103-147-113-123-62-23-14-24-63-123,92-54-104-148-114-124-64-25-15-26-65-124)93-55-105-149-115-125-66-27-16-28-67-125)89-49-9-4-2-7-46-86-140(94-56-106-150-116-126-68-29-17-30-69-126,95-57-107-151-117-127-70-31-18-32-71-127)96-58-108-152-118-128-72-33-19-34-73-128;83-59-27-47-77(48-28-60-84,49-29-61-85)41-19-7-1-4-10-22-44-80(45-23-11-5-2-8-20-42-78(50-30-62-86,51-31-63-87)52-32-64-88,46-24-12-6-3-9-21-43-79(53-33-65-89,54-34-66-90)55-35-67-91)56-40-75(92)81-57-25-13-14-26-58-82-76(93)94-69-74-72-38-17-15-36-70(72)68-71-37-16-18-39-73(71)74;/h14-44,62-83,112H,6-10,12-13,45-61,84-111,113-122H2,(H,143,145)(H,144,146);15-18,36-39,68,83-91H,1-14,19-35,40-67,69H2,(H,81,92)(H,82,93);1H4
InChIKeyVZJZSKMLBDCMDY-UHFFFAOYSA-N
XLogP51.81
TPSA400.00 Ų
H-Bond Donors13
H-Bond Acceptors24
Rotatable Bonds149
Heavy Atoms251
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003445.05
LogP ≤ 551.81
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze anthracen-9-ylmethyl N-[6-[[16-hydroxy-4,4-bis[12-hydroxy-9,9-bis(3-hydroxypropyl)dodecyl]-13,13-bis(3-hydroxypropyl)hexadecanoyl]amino]hexyl]carbamate;anthracen-9-ylmethyl N-[6-[[16-phenylmethoxy-4-[12-phenylmethoxy-9,9-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-4-[11-phenylmethoxy-8,8-bis(3-phenylmethoxypropyl)undec-3-ynyl]-13,13-bis(3-phenylmethoxypropyl)hexadec-8-ynoyl]amino]hexyl]carbamate;methane with MolForge

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Related Compounds

anthracen-9-ylmethyl N-[6-[[16-hydroxy-4-[12-hydroxy-9,9-bis(3-hydroxypropyl)dodecyl]-4-[11-hydroxy-8,8-bis(3-hydroxypropyl)undecyl]-13-(2-hydroxyethyl)-13-(3-hydroxypropyl)hexadecanoyl]amino]hexyl]carbamate
CID 59722402
23-[3-[6-(anthracen-9-ylmethoxycarbonylamino)hexylamino]-3-oxopropyl]-14-[9,9-bis(3-carboxypropyl)-12-hydroxydodecyl]-23-[21-carboxy-9,9-bis[12-carboxy-9,9-bis(3-carboxypropyl)dodecyl]-18,18-bis(3-carboxypropyl)henicosyl]-14,32,32-tris[12-carboxy-9,9-bis(3-carboxypropyl)dodecyl]-5,5,42,42-tetrakis(3-carboxypropyl)hexatetracontanedioic acid;formaldehyde
CID 161205541
anthracen-9-ylmethyl N-[20-[8,8-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-28-butyl-8-oxo-32-phenylmethoxy-11,11-bis[21-phenylmethoxy-9,9-bis[12-phenylmethoxy-9,9-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-18,18-bis(3-phenylmethoxypropyl)henicos-13-ynyl]-20-[11-phenylmethoxy-8-(2-phenylmethoxyethyl)-7-(3-phenylmethoxypropyl)undec-4-ynyl]-28-(3-phenylmethoxypropyl)dotriacont-24-ynyl]carbamate
CID 157348252
triethyl 8-(anthracen-9-ylmethoxycarbonylamino)octane-1,1,1-tricarboxylate
CID 59987232
anthracen-9-ylmethyl N-[8-[[1-[4-carbamoyl-5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-5-oxopentoxy]-3-[4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3,3-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-oxobutoxy]-2-[[4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3,3-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-oxobutoxy]methyl]propan-2-yl]amino]-8-oxooctyl]carbamate
CID 59722403
4-oxo-4-[5-(phenylmethoxycarbonylamino)pentylamino]butanoic acid
CID 129041037
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
3-[2-[3-[2-[4-[3-[2-[[4-(anthracen-9-ylmethoxycarbonylamino)butanoylamino]methyl]-2-ethylbutoxy]propanoylamino]butanoylamino]-3-[3-[[1,3-bis(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)propan-2-yl]amino]-3-oxopropoxy]-2-[[3-[[1,3-bis(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)propan-2-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)propoxy]propanoic acid
CID 129192047
N-benzyl-4-phenylmethoxybutanamide
CID 15396752
5-(3-phenylmethoxypropanoylamino)pentanoic acid
CID 119234260
4-amino-N-(4-phenylmethoxybutyl)pentanamide;hydrochloride
CID 120561833

Frequently Asked Questions

What is the IUPAC name of anthracen-9-ylmethyl N-[6-[[16-hydroxy-4,4-bis[12-hydroxy-9,9-bis(3-hydroxypropyl)dodecyl]-13,13-bis(3-hydroxypropyl)hexadecanoyl]amino]hexyl]carbamate;anthracen-9-ylmethyl N-[6-[[16-phenylmethoxy-4-[12-phenylmethoxy-9,9-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-4-[11-phenylmethoxy-8,8-bis(3-phenylmethoxypropyl)undec-3-ynyl]-13,13-bis(3-phenylmethoxypropyl)hexadec-8-ynoyl]amino]hexyl]carbamate;methane?
The IUPAC name of anthracen-9-ylmethyl N-[6-[[16-hydroxy-4,4-bis[12-hydroxy-9,9-bis(3-hydroxypropyl)dodecyl]-13,13-bis(3-hydroxypropyl)hexadecanoyl]amino]hexyl]carbamate;anthracen-9-ylmethyl N-[6-[[16-phenylmethoxy-4-[12-phenylmethoxy-9,9-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-4-[11-phenylmethoxy-8,8-bis(3-phenylmethoxypropyl)undec-3-ynyl]-13,13-bis(3-phenylmethoxypropyl)hexadec-8-ynoyl]amino]hexyl]carbamate;methane (CID 161442022) is anthracen-9-ylmethyl N-[6-[[16-hydroxy-4,4-bis[12-hydroxy-9,9-bis(3-hydroxypropyl)dodecyl]-13,13-bis(3-hydroxypropyl)hexadecanoyl]amino]hexyl]carbamate;anthracen-9-ylmethyl N-[6-[[16-phenylmethoxy-4-[12-phenylmethoxy-9,9-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-4-[11-phenylmethoxy-8,8-bis(3-phenylmethoxypropyl)undec-3-ynyl]-13,13-bis(3-phenylmethoxypropyl)hexadec-8-ynoyl]amino]hexyl]carbamate;methane.
What is the SMILES notation for anthracen-9-ylmethyl N-[6-[[16-hydroxy-4,4-bis[12-hydroxy-9,9-bis(3-hydroxypropyl)dodecyl]-13,13-bis(3-hydroxypropyl)hexadecanoyl]amino]hexyl]carbamate;anthracen-9-ylmethyl N-[6-[[16-phenylmethoxy-4-[12-phenylmethoxy-9,9-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-4-[11-phenylmethoxy-8,8-bis(3-phenylmethoxypropyl)undec-3-ynyl]-13,13-bis(3-phenylmethoxypropyl)hexadec-8-ynoyl]amino]hexyl]carbamate;methane?
The canonical SMILES for anthracen-9-ylmethyl N-[6-[[16-hydroxy-4,4-bis[12-hydroxy-9,9-bis(3-hydroxypropyl)dodecyl]-13,13-bis(3-hydroxypropyl)hexadecanoyl]amino]hexyl]carbamate;anthracen-9-ylmethyl N-[6-[[16-phenylmethoxy-4-[12-phenylmethoxy-9,9-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-4-[11-phenylmethoxy-8,8-bis(3-phenylmethoxypropyl)undec-3-ynyl]-13,13-bis(3-phenylmethoxypropyl)hexadec-8-ynoyl]amino]hexyl]carbamate;methane is C.O=C(CCC(CCC#CCCCC(CCCOCc1ccccc1)(CCCOCc1ccccc1)CCCOCc1ccccc1)(CCCC#CCCCC(CCCOCc1ccccc1)(CCCOCc1ccccc1)CCCOCc1ccccc1)CCCC#CCCCC(CCCOCc1ccccc1)(CCCOCc1ccccc1)CCCOCc1ccccc1)NCCCCCCNC(=O)OCc1c2ccccc2cc2ccccc12.O=C(CCC(CCCCCCCCC(CCCO)(CCCO)CCCO)(CCCCCCCCC(CCCO)(CCCO)CCCO)CCCCCCCCC(CCCO)(CCCO)CCCO)NCCCCCCNC(=O)OCc1c2ccccc2cc2ccccc12.
What is the InChIKey of anthracen-9-ylmethyl N-[6-[[16-hydroxy-4,4-bis[12-hydroxy-9,9-bis(3-hydroxypropyl)dodecyl]-13,13-bis(3-hydroxypropyl)hexadecanoyl]amino]hexyl]carbamate;anthracen-9-ylmethyl N-[6-[[16-phenylmethoxy-4-[12-phenylmethoxy-9,9-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-4-[11-phenylmethoxy-8,8-bis(3-phenylmethoxypropyl)undec-3-ynyl]-13,13-bis(3-phenylmethoxypropyl)hexadec-8-ynoyl]amino]hexyl]carbamate;methane?
The InChIKey is VZJZSKMLBDCMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C142H180N2O12.C80H140N2O12.CH4/c145-137(143-101-51-12-13-52-102-144-138(146)156-122-136-134-82-43-41-80-132(134)112-133-81-42-44-83-135(133)136)84-100-142(90-50-11-5-10-47-87-141(97-59-109-153-119-129-74-35-20-36-75-129,98-60-110-154-120-130-76-37-21-38-77-130)99-61-111-155-121-131-78-39-22-40-79-131,88-48-8-3-1-6-45-85-139(91-53-103-147-113-123-62-23-14-24-63-123,92-54-104-148-114-124-64-25-15-26-65-124)93-55-105-149-115-125-66-27-16-28-67-125)89-49-9-4-2-7-46-86-140(94-56-106-150-116-126-68-29-17-30-69-126,95-57-107-151-117-127-70-31-18-32-71-127)96-58-108-152-118-128-72-33-19-34-73-128;83-59-27-47-77(48-28-60-84,49-29-61-85)41-19-7-1-4-10-22-44-80(45-23-11-5-2-8-20-42-78(50-30-62-86,51-31-63-87)52-32-64-88,46-24-12-6-3-9-21-43-79(53-33-65-89,54-34-66-90)55-35-67-91)56-40-75(92)81-57-25-13-14-26-58-82-76(93)94-69-74-72-38-17-15-36-70(72)68-71-37-16-18-39-73(71)74;/h14-44,62-83,112H,6-10,12-13,45-61,84-111,113-122H2,(H,143,145)(H,144,146);15-18,36-39,68,83-91H,1-14,19-35,40-67,69H2,(H,81,92)(H,82,93);1H4.
What are the key properties of anthracen-9-ylmethyl N-[6-[[16-hydroxy-4,4-bis[12-hydroxy-9,9-bis(3-hydroxypropyl)dodecyl]-13,13-bis(3-hydroxypropyl)hexadecanoyl]amino]hexyl]carbamate;anthracen-9-ylmethyl N-[6-[[16-phenylmethoxy-4-[12-phenylmethoxy-9,9-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-4-[11-phenylmethoxy-8,8-bis(3-phenylmethoxypropyl)undec-3-ynyl]-13,13-bis(3-phenylmethoxypropyl)hexadec-8-ynoyl]amino]hexyl]carbamate;methane?
anthracen-9-ylmethyl N-[6-[[16-hydroxy-4,4-bis[12-hydroxy-9,9-bis(3-hydroxypropyl)dodecyl]-13,13-bis(3-hydroxypropyl)hexadecanoyl]amino]hexyl]carbamate;anthracen-9-ylmethyl N-[6-[[16-phenylmethoxy-4-[12-phenylmethoxy-9,9-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-4-[11-phenylmethoxy-8,8-bis(3-phenylmethoxypropyl)undec-3-ynyl]-13,13-bis(3-phenylmethoxypropyl)hexadec-8-ynoyl]amino]hexyl]carbamate;methane has a molecular weight of 3445.05 g/mol, XLogP of 51.81, 149 rotatable bonds, 13 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-9-ylmethyl N-[6-[[16-hydroxy-4,4-bis[12-hydroxy-9,9-bis(3-hydroxypropyl)dodecyl]-13,13-bis(3-hydroxypropyl)hexadecanoyl]amino]hexyl]carbamate;anthracen-9-ylmethyl N-[6-[[16-phenylmethoxy-4-[12-phenylmethoxy-9,9-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-4-[11-phenylmethoxy-8,8-bis(3-phenylmethoxypropyl)undec-3-ynyl]-13,13-bis(3-phenylmethoxypropyl)hexadec-8-ynoyl]amino]hexyl]carbamate;methane is sourced from PubChem (CID 161442022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).