5-[[3,5-di(triacontoxy)phenyl]methoxy]-2-[2-[2-[2-[[4-[[3,5-di(triacontoxy)phenyl]methoxy]-2-hydroxyphenyl]methylideneamino]ethylamino]ethylamino]ethyliminomethyl]phenol

C154H278N4O8 — CID 136866393

IUPAC5-[[3,5-di(triacontoxy)phenyl]methoxy]-2-[2-[2-[2-[[4-[[3,5-di(triacontoxy)phenyl]methoxy]-2-hydroxyphenyl]methylideneamino]ethylamino]ethylamino]ethyliminomethyl]phenol
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOc1cc(COc2ccc(/C=N/CCNCCNCC/N=C/c3ccc(OCc4cc(OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)cc(OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)c4)cc3O)c(O)c2)cc(OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)c1
InChIInChI=1S/C154H278N4O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-85-89-93-97-101-105-109-113-127-161-149-131-143(132-150(135-149)162-128-114-110-106-102-98-94-90-86-82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)141-165-147-119-117-145(153(159)137-147)139-157-125-123-155-121-122-156-124-126-158-140-146-118-120-148(138-154(146)160)166-142-144-133-151(163-129-115-111-107-103-99-95-91-87-83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)136-152(134-144)164-130-116-112-108-104-100-96-92-88-84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h117-120,131-140,155-156,159-160H,5-116,121-130,141-142H2,1-4H3/b157-139+,158-140+
InChIKeySKRWBGRSIFAONN-VPDPTPMQSA-N
MW2313.94 g/mol
LogP50.26
Rot. Bonds137

About 5-[[3,5-di(triacontoxy)phenyl]methoxy]-2-[2-[2-[2-[[4-[[3,5-di(triacontoxy)phenyl]methoxy]-2-hydroxyphenyl]methylideneamino]ethylamino]ethylamino]ethyliminomethyl]phenol

5-[[3,5-di(triacontoxy)phenyl]methoxy]-2-[2-[2-[2-[[4-[[3,5-di(triacontoxy)phenyl]methoxy]-2-hydroxyphenyl]methylideneamino]ethylamino]ethylamino]ethyliminomethyl]phenol (PubChem CID 136866393) has the molecular formula C154H278N4O8 and a molecular weight of 2313.94 g/mol. Its IUPAC name is 5-[[3,5-di(triacontoxy)phenyl]methoxy]-2-[2-[2-[2-[[4-[[3,5-di(triacontoxy)phenyl]methoxy]-2-hydroxyphenyl]methylideneamino]ethylamino]ethylamino]ethyliminomethyl]phenol.

Molecular Properties

Compound Name5-[[3,5-di(triacontoxy)phenyl]methoxy]-2-[2-[2-[2-[[4-[[3,5-di(triacontoxy)phenyl]methoxy]-2-hydroxyphenyl]methylideneamino]ethylamino]ethylamino]ethyliminomethyl]phenol
PubChem CID136866393
Molecular FormulaC154H278N4O8
Molecular Weight2313.94 g/mol
Exact Mass2312.15
IUPAC Name5-[[3,5-di(triacontoxy)phenyl]methoxy]-2-[2-[2-[2-[[4-[[3,5-di(triacontoxy)phenyl]methoxy]-2-hydroxyphenyl]methylideneamino]ethylamino]ethylamino]ethyliminomethyl]phenol
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOc1cc(COc2ccc(/C=N/CCNCCNCC/N=C/c3ccc(OCc4cc(OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)cc(OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)c4)cc3O)c(O)c2)cc(OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)c1
InChIInChI=1S/C154H278N4O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-85-89-93-97-101-105-109-113-127-161-149-131-143(132-150(135-149)162-128-114-110-106-102-98-94-90-86-82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)141-165-147-119-117-145(153(159)137-147)139-157-125-123-155-121-122-156-124-126-158-140-146-118-120-148(138-154(146)160)166-142-144-133-151(163-129-115-111-107-103-99-95-91-87-83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)136-152(134-144)164-130-116-112-108-104-100-96-92-88-84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h117-120,131-140,155-156,159-160H,5-116,121-130,141-142H2,1-4H3/b157-139+,158-140+
InChIKeySKRWBGRSIFAONN-VPDPTPMQSA-N
XLogP50.26
TPSA144.62 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds137
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002313.94
LogP ≤ 550.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-[[3,5-di(triacontoxy)phenyl]methoxy]-2-[2-[2-[2-[[4-[[3,5-di(triacontoxy)phenyl]methoxy]-2-hydroxyphenyl]methylideneamino]ethylamino]ethylamino]ethyliminomethyl]phenol with MolForge

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Related Compounds

5-hexoxy-2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol
CID 136808055
5-nonadecoxy-2-(octadecyliminomethyl)phenol
CID 136694995
2-[10-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]decyliminomethyl]-5-octadecoxyphenol
CID 136826625
5-hexoxy-2-(hexyliminomethyl)phenol
CID 136673235
2-(octadecyliminomethyl)-5-undecoxyphenol
CID 136694989
5-hexadecoxy-2-(2-hydroxyethyliminomethyl)phenol
CID 136863779
5-hexoxy-2-(3-hydroxypropyliminomethyl)phenol
CID 136798789
5-dodecoxy-2-(3-hydroxypropyliminomethyl)phenol
CID 136701680
2-[2-[bis[2-[(4-dodecoxy-2-hydroxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-5-dodecoxyphenol
CID 136857743
5-dodecoxy-2-(2-phenylethyliminomethyl)phenol
CID 139071672
5-hexoxy-2-[(Z)-[(Z)-(4-hexoxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 136897173
2-[2-[(2-hydroxy-5-icosoxyphenyl)methylideneamino]ethyliminomethyl]-4-icosoxyphenol
CID 136723269

Frequently Asked Questions

What is the IUPAC name of 5-[[3,5-di(triacontoxy)phenyl]methoxy]-2-[2-[2-[2-[[4-[[3,5-di(triacontoxy)phenyl]methoxy]-2-hydroxyphenyl]methylideneamino]ethylamino]ethylamino]ethyliminomethyl]phenol?
The IUPAC name of 5-[[3,5-di(triacontoxy)phenyl]methoxy]-2-[2-[2-[2-[[4-[[3,5-di(triacontoxy)phenyl]methoxy]-2-hydroxyphenyl]methylideneamino]ethylamino]ethylamino]ethyliminomethyl]phenol (CID 136866393) is 5-[[3,5-di(triacontoxy)phenyl]methoxy]-2-[2-[2-[2-[[4-[[3,5-di(triacontoxy)phenyl]methoxy]-2-hydroxyphenyl]methylideneamino]ethylamino]ethylamino]ethyliminomethyl]phenol.
What is the SMILES notation for 5-[[3,5-di(triacontoxy)phenyl]methoxy]-2-[2-[2-[2-[[4-[[3,5-di(triacontoxy)phenyl]methoxy]-2-hydroxyphenyl]methylideneamino]ethylamino]ethylamino]ethyliminomethyl]phenol?
The canonical SMILES for 5-[[3,5-di(triacontoxy)phenyl]methoxy]-2-[2-[2-[2-[[4-[[3,5-di(triacontoxy)phenyl]methoxy]-2-hydroxyphenyl]methylideneamino]ethylamino]ethylamino]ethyliminomethyl]phenol is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOc1cc(COc2ccc(/C=N/CCNCCNCC/N=C/c3ccc(OCc4cc(OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)cc(OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)c4)cc3O)c(O)c2)cc(OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)c1.
What is the InChIKey of 5-[[3,5-di(triacontoxy)phenyl]methoxy]-2-[2-[2-[2-[[4-[[3,5-di(triacontoxy)phenyl]methoxy]-2-hydroxyphenyl]methylideneamino]ethylamino]ethylamino]ethyliminomethyl]phenol?
The InChIKey is SKRWBGRSIFAONN-VPDPTPMQSA-N. The full InChI is InChI=1S/C154H278N4O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-85-89-93-97-101-105-109-113-127-161-149-131-143(132-150(135-149)162-128-114-110-106-102-98-94-90-86-82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)141-165-147-119-117-145(153(159)137-147)139-157-125-123-155-121-122-156-124-126-158-140-146-118-120-148(138-154(146)160)166-142-144-133-151(163-129-115-111-107-103-99-95-91-87-83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)136-152(134-144)164-130-116-112-108-104-100-96-92-88-84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h117-120,131-140,155-156,159-160H,5-116,121-130,141-142H2,1-4H3/b157-139+,158-140+.
What are the key properties of 5-[[3,5-di(triacontoxy)phenyl]methoxy]-2-[2-[2-[2-[[4-[[3,5-di(triacontoxy)phenyl]methoxy]-2-hydroxyphenyl]methylideneamino]ethylamino]ethylamino]ethyliminomethyl]phenol?
5-[[3,5-di(triacontoxy)phenyl]methoxy]-2-[2-[2-[2-[[4-[[3,5-di(triacontoxy)phenyl]methoxy]-2-hydroxyphenyl]methylideneamino]ethylamino]ethylamino]ethyliminomethyl]phenol has a molecular weight of 2313.94 g/mol, XLogP of 50.26, 137 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,5-di(triacontoxy)phenyl]methoxy]-2-[2-[2-[2-[[4-[[3,5-di(triacontoxy)phenyl]methoxy]-2-hydroxyphenyl]methylideneamino]ethylamino]ethylamino]ethyliminomethyl]phenol is sourced from PubChem (CID 136866393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).