N-[4-[2-[4-[4-[4,6-bis[4-[1-[2,6-bis[4-(decanoylamino)phenyl]-4-dodecylphenyl]triazol-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]triazol-1-yl]-3-[4-(decanoylamino)phenyl]-5-dodecylphenyl]phenyl]decanamide

C177H240N18O6 — CID 177477102

IUPACN-[4-[2-[4-[4-[4,6-bis[4-[1-[2,6-bis[4-(decanoylamino)phenyl]-4-dodecylphenyl]triazol-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]triazol-1-yl]-3-[4-(decanoylamino)phenyl]-5-dodecylphenyl]phenyl]decanamide
SMILESCCCCCCCCCCCCc1cc(-c2ccc(NC(=O)CCCCCCCCC)cc2)c(-n2cc(-c3ccc(-c4nc(-c5ccc(-c6cn(-c7c(-c8ccc(NC(=O)CCCCCCCCC)cc8)cc(CCCCCCCCCCCC)cc7-c7ccc(NC(=O)CCCCCCCCC)cc7)nn6)cc5)nc(-c5ccc(-c6cn(-c7c(-c8ccc(NC(=O)CCCCCCCCC)cc8)cc(CCCCCCCCCCCC)cc7-c7ccc(NC(=O)CCCCCCCCC)cc7)nn6)cc5)n4)cc3)nn2)c(-c2ccc(NC(=O)CCCCCCCCC)cc2)c1
InChIInChI=1S/C177H240N18O6/c1-10-19-28-37-46-49-52-61-64-73-82-136-127-157(139-103-115-151(116-104-139)178-166(196)85-76-67-55-40-31-22-13-4)172(158(128-136)140-105-117-152(118-106-140)179-167(197)86-77-68-56-41-32-23-14-5)193-133-163(187-190-193)145-91-97-148(98-92-145)175-184-176(149-99-93-146(94-100-149)164-134-194(191-188-164)173-159(141-107-119-153(120-108-141)180-168(198)87-78-69-57-42-33-24-15-6)129-137(83-74-65-62-53-50-47-38-29-20-11-2)130-160(173)142-109-121-154(122-110-142)181-169(199)88-79-70-58-43-34-25-16-7)186-177(185-175)150-101-95-147(96-102-150)165-135-195(192-189-165)174-161(143-111-123-155(124-112-143)182-170(200)89-80-71-59-44-35-26-17-8)131-138(84-75-66-63-54-51-48-39-30-21-12-3)132-162(174)144-113-125-156(126-114-144)183-171(201)90-81-72-60-45-36-27-18-9/h91-135H,10-90H2,1-9H3,(H,178,196)(H,179,197)(H,180,198)(H,181,199)(H,182,200)(H,183,201)
InChIKeyHKTIHRGHACHNHV-UHFFFAOYSA-N
MW2715.99 g/mol
LogP50.48
Rot. Bonds102

About N-[4-[2-[4-[4-[4,6-bis[4-[1-[2,6-bis[4-(decanoylamino)phenyl]-4-dodecylphenyl]triazol-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]triazol-1-yl]-3-[4-(decanoylamino)phenyl]-5-dodecylphenyl]phenyl]decanamide

N-[4-[2-[4-[4-[4,6-bis[4-[1-[2,6-bis[4-(decanoylamino)phenyl]-4-dodecylphenyl]triazol-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]triazol-1-yl]-3-[4-(decanoylamino)phenyl]-5-dodecylphenyl]phenyl]decanamide (PubChem CID 177477102) has the molecular formula C177H240N18O6 and a molecular weight of 2715.99 g/mol. Its IUPAC name is N-[4-[2-[4-[4-[4,6-bis[4-[1-[2,6-bis[4-(decanoylamino)phenyl]-4-dodecylphenyl]triazol-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]triazol-1-yl]-3-[4-(decanoylamino)phenyl]-5-dodecylphenyl]phenyl]decanamide.

Molecular Properties

Compound NameN-[4-[2-[4-[4-[4,6-bis[4-[1-[2,6-bis[4-(decanoylamino)phenyl]-4-dodecylphenyl]triazol-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]triazol-1-yl]-3-[4-(decanoylamino)phenyl]-5-dodecylphenyl]phenyl]decanamide
PubChem CID177477102
Molecular FormulaC177H240N18O6
Molecular Weight2715.99 g/mol
Exact Mass2713.90
IUPAC NameN-[4-[2-[4-[4-[4,6-bis[4-[1-[2,6-bis[4-(decanoylamino)phenyl]-4-dodecylphenyl]triazol-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]triazol-1-yl]-3-[4-(decanoylamino)phenyl]-5-dodecylphenyl]phenyl]decanamide
SMILESCCCCCCCCCCCCc1cc(-c2ccc(NC(=O)CCCCCCCCC)cc2)c(-n2cc(-c3ccc(-c4nc(-c5ccc(-c6cn(-c7c(-c8ccc(NC(=O)CCCCCCCCC)cc8)cc(CCCCCCCCCCCC)cc7-c7ccc(NC(=O)CCCCCCCCC)cc7)nn6)cc5)nc(-c5ccc(-c6cn(-c7c(-c8ccc(NC(=O)CCCCCCCCC)cc8)cc(CCCCCCCCCCCC)cc7-c7ccc(NC(=O)CCCCCCCCC)cc7)nn6)cc5)n4)cc3)nn2)c(-c2ccc(NC(=O)CCCCCCCCC)cc2)c1
InChIInChI=1S/C177H240N18O6/c1-10-19-28-37-46-49-52-61-64-73-82-136-127-157(139-103-115-151(116-104-139)178-166(196)85-76-67-55-40-31-22-13-4)172(158(128-136)140-105-117-152(118-106-140)179-167(197)86-77-68-56-41-32-23-14-5)193-133-163(187-190-193)145-91-97-148(98-92-145)175-184-176(149-99-93-146(94-100-149)164-134-194(191-188-164)173-159(141-107-119-153(120-108-141)180-168(198)87-78-69-57-42-33-24-15-6)129-137(83-74-65-62-53-50-47-38-29-20-11-2)130-160(173)142-109-121-154(122-110-142)181-169(199)88-79-70-58-43-34-25-16-7)186-177(185-175)150-101-95-147(96-102-150)165-135-195(192-189-165)174-161(143-111-123-155(124-112-143)182-170(200)89-80-71-59-44-35-26-17-8)131-138(84-75-66-63-54-51-48-39-30-21-12-3)132-162(174)144-113-125-156(126-114-144)183-171(201)90-81-72-60-45-36-27-18-9/h91-135H,10-90H2,1-9H3,(H,178,196)(H,179,197)(H,180,198)(H,181,199)(H,182,200)(H,183,201)
InChIKeyHKTIHRGHACHNHV-UHFFFAOYSA-N
XLogP50.48
TPSA305.40 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds102
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002715.99
LogP ≤ 550.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze N-[4-[2-[4-[4-[4,6-bis[4-[1-[2,6-bis[4-(decanoylamino)phenyl]-4-dodecylphenyl]triazol-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]triazol-1-yl]-3-[4-(decanoylamino)phenyl]-5-dodecylphenyl]phenyl]decanamide with MolForge

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Related Compounds

N-(4-heptylphenyl)heptanamide
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N-[4-(icosanoylamino)phenyl]icosanamide
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N-[3-[1-[3,5-bis(trifluoromethyl)phenyl]triazol-4-yl]phenyl]heptanamide
CID 162538468
6-amino-N-(4-pentylphenyl)hexanamide
CID 61248961
N-[4-(tetrazol-1-yl)phenyl]hexanamide
CID 18083677
N-[4-(4-hydroxyphenyl)phenyl]octanamide
CID 139889893
methyl 4-[5-[4-(dodecanoylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzoate
CID 100913695
N-[4-[1-[[3,5-bis[[4-[4-[4-(dimethylamino)butanoylamino]phenyl]triazol-1-yl]methyl]phenyl]methyl]triazol-4-yl]phenyl]-4-(dimethylamino)butanamide
CID 102040109
4-amino-N-(4-pentylphenyl)butanamide
CID 61248586
N-[4-[2-[3,5-bis[2-[4-(decanoylamino)phenyl]ethynyl]phenyl]ethynyl]phenyl]decanamide
CID 132538113
3-[4-(octanoylamino)phenyl]propanoic acid
CID 81370098
N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]octanamide
CID 177491389

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[4-[4,6-bis[4-[1-[2,6-bis[4-(decanoylamino)phenyl]-4-dodecylphenyl]triazol-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]triazol-1-yl]-3-[4-(decanoylamino)phenyl]-5-dodecylphenyl]phenyl]decanamide?
The IUPAC name of N-[4-[2-[4-[4-[4,6-bis[4-[1-[2,6-bis[4-(decanoylamino)phenyl]-4-dodecylphenyl]triazol-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]triazol-1-yl]-3-[4-(decanoylamino)phenyl]-5-dodecylphenyl]phenyl]decanamide (CID 177477102) is N-[4-[2-[4-[4-[4,6-bis[4-[1-[2,6-bis[4-(decanoylamino)phenyl]-4-dodecylphenyl]triazol-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]triazol-1-yl]-3-[4-(decanoylamino)phenyl]-5-dodecylphenyl]phenyl]decanamide.
What is the SMILES notation for N-[4-[2-[4-[4-[4,6-bis[4-[1-[2,6-bis[4-(decanoylamino)phenyl]-4-dodecylphenyl]triazol-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]triazol-1-yl]-3-[4-(decanoylamino)phenyl]-5-dodecylphenyl]phenyl]decanamide?
The canonical SMILES for N-[4-[2-[4-[4-[4,6-bis[4-[1-[2,6-bis[4-(decanoylamino)phenyl]-4-dodecylphenyl]triazol-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]triazol-1-yl]-3-[4-(decanoylamino)phenyl]-5-dodecylphenyl]phenyl]decanamide is CCCCCCCCCCCCc1cc(-c2ccc(NC(=O)CCCCCCCCC)cc2)c(-n2cc(-c3ccc(-c4nc(-c5ccc(-c6cn(-c7c(-c8ccc(NC(=O)CCCCCCCCC)cc8)cc(CCCCCCCCCCCC)cc7-c7ccc(NC(=O)CCCCCCCCC)cc7)nn6)cc5)nc(-c5ccc(-c6cn(-c7c(-c8ccc(NC(=O)CCCCCCCCC)cc8)cc(CCCCCCCCCCCC)cc7-c7ccc(NC(=O)CCCCCCCCC)cc7)nn6)cc5)n4)cc3)nn2)c(-c2ccc(NC(=O)CCCCCCCCC)cc2)c1.
What is the InChIKey of N-[4-[2-[4-[4-[4,6-bis[4-[1-[2,6-bis[4-(decanoylamino)phenyl]-4-dodecylphenyl]triazol-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]triazol-1-yl]-3-[4-(decanoylamino)phenyl]-5-dodecylphenyl]phenyl]decanamide?
The InChIKey is HKTIHRGHACHNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C177H240N18O6/c1-10-19-28-37-46-49-52-61-64-73-82-136-127-157(139-103-115-151(116-104-139)178-166(196)85-76-67-55-40-31-22-13-4)172(158(128-136)140-105-117-152(118-106-140)179-167(197)86-77-68-56-41-32-23-14-5)193-133-163(187-190-193)145-91-97-148(98-92-145)175-184-176(149-99-93-146(94-100-149)164-134-194(191-188-164)173-159(141-107-119-153(120-108-141)180-168(198)87-78-69-57-42-33-24-15-6)129-137(83-74-65-62-53-50-47-38-29-20-11-2)130-160(173)142-109-121-154(122-110-142)181-169(199)88-79-70-58-43-34-25-16-7)186-177(185-175)150-101-95-147(96-102-150)165-135-195(192-189-165)174-161(143-111-123-155(124-112-143)182-170(200)89-80-71-59-44-35-26-17-8)131-138(84-75-66-63-54-51-48-39-30-21-12-3)132-162(174)144-113-125-156(126-114-144)183-171(201)90-81-72-60-45-36-27-18-9/h91-135H,10-90H2,1-9H3,(H,178,196)(H,179,197)(H,180,198)(H,181,199)(H,182,200)(H,183,201).
What are the key properties of N-[4-[2-[4-[4-[4,6-bis[4-[1-[2,6-bis[4-(decanoylamino)phenyl]-4-dodecylphenyl]triazol-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]triazol-1-yl]-3-[4-(decanoylamino)phenyl]-5-dodecylphenyl]phenyl]decanamide?
N-[4-[2-[4-[4-[4,6-bis[4-[1-[2,6-bis[4-(decanoylamino)phenyl]-4-dodecylphenyl]triazol-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]triazol-1-yl]-3-[4-(decanoylamino)phenyl]-5-dodecylphenyl]phenyl]decanamide has a molecular weight of 2715.99 g/mol, XLogP of 50.48, 102 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[4-[4,6-bis[4-[1-[2,6-bis[4-(decanoylamino)phenyl]-4-dodecylphenyl]triazol-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]triazol-1-yl]-3-[4-(decanoylamino)phenyl]-5-dodecylphenyl]phenyl]decanamide is sourced from PubChem (CID 177477102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).