2-N,4-N,6-N-tris[3,4-bis[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine

C144H264N6O30 — CID 58609247

IUPAC2-N,4-N,6-N-tris[3,4-bis[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCCCCCCCOCCOCCOCCOCCOc1ccc(N(C)c2nc(N(C)c3ccc(OCCOCCOCCOCCOCCCCCCCCCCCC)c(OCCOCCOCCOCCOCCCCCCCCCCCC)c3)nc(N(C)c3ccc(OCCOCCOCCOCCOCCCCCCCCCCCC)c(OCCOCCOCCOCCOCCCCCCCCCCCC)c3)n2)cc1OCCOCCOCCOCCOCCCCCCCCCCCC
InChIInChI=1S/C144H264N6O30/c1-10-16-22-28-34-40-46-52-58-64-76-151-82-88-157-94-100-163-106-112-169-118-124-175-136-73-70-133(130-139(136)178-127-121-172-115-109-166-103-97-160-91-85-154-79-67-61-55-49-43-37-31-25-19-13-4)148(7)142-145-143(149(8)134-71-74-137(176-125-119-170-113-107-164-101-95-158-89-83-152-77-65-59-53-47-41-35-29-23-17-11-2)140(131-134)179-128-122-173-116-110-167-104-98-161-92-86-155-80-68-62-56-50-44-38-32-26-20-14-5)147-144(146-142)150(9)135-72-75-138(177-126-120-171-114-108-165-102-96-159-90-84-153-78-66-60-54-48-42-36-30-24-18-12-3)141(132-135)180-129-123-174-117-111-168-105-99-162-93-87-156-81-69-63-57-51-45-39-33-27-21-15-6/h70-75,130-132H,10-69,76-129H2,1-9H3
InChIKeyQUFMOTHHFLOMEO-UHFFFAOYSA-N
MW2559.71 g/mol
LogP31.37
Rot. Bonds150

About 2-N,4-N,6-N-tris[3,4-bis[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine

2-N,4-N,6-N-tris[3,4-bis[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 58609247) has the molecular formula C144H264N6O30 and a molecular weight of 2559.71 g/mol. Its IUPAC name is 2-N,4-N,6-N-tris[3,4-bis[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N,6-N-tris[3,4-bis[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID58609247
Molecular FormulaC144H264N6O30
Molecular Weight2559.71 g/mol
Exact Mass2557.93
IUPAC Name2-N,4-N,6-N-tris[3,4-bis[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCCCCCCCOCCOCCOCCOCCOc1ccc(N(C)c2nc(N(C)c3ccc(OCCOCCOCCOCCOCCCCCCCCCCCC)c(OCCOCCOCCOCCOCCCCCCCCCCCC)c3)nc(N(C)c3ccc(OCCOCCOCCOCCOCCCCCCCCCCCC)c(OCCOCCOCCOCCOCCCCCCCCCCCC)c3)n2)cc1OCCOCCOCCOCCOCCCCCCCCCCCC
InChIInChI=1S/C144H264N6O30/c1-10-16-22-28-34-40-46-52-58-64-76-151-82-88-157-94-100-163-106-112-169-118-124-175-136-73-70-133(130-139(136)178-127-121-172-115-109-166-103-97-160-91-85-154-79-67-61-55-49-43-37-31-25-19-13-4)148(7)142-145-143(149(8)134-71-74-137(176-125-119-170-113-107-164-101-95-158-89-83-152-77-65-59-53-47-41-35-29-23-17-11-2)140(131-134)179-128-122-173-116-110-167-104-98-161-92-86-155-80-68-62-56-50-44-38-32-26-20-14-5)147-144(146-142)150(9)135-72-75-138(177-126-120-171-114-108-165-102-96-159-90-84-153-78-66-60-54-48-42-36-30-24-18-12-3)141(132-135)180-129-123-174-117-111-168-105-99-162-93-87-156-81-69-63-57-51-45-39-33-27-21-15-6/h70-75,130-132H,10-69,76-129H2,1-9H3
InChIKeyQUFMOTHHFLOMEO-UHFFFAOYSA-N
XLogP31.37
TPSA325.29 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds150
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002559.71
LogP ≤ 531.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 2-N,4-N,6-N-tris[3,4-bis[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

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4-[4-amino-3-(2-hexoxyethoxy)phenyl]-2-(2-hexoxyethoxy)aniline
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1,3-bis(2-hexoxyethoxy)benzene
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1,4,5,8-tetrahexoxyanthracene
CID 101142141
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CID 100981967

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-N-tris[3,4-bis[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N,6-N-tris[3,4-bis[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine (CID 58609247) is 2-N,4-N,6-N-tris[3,4-bis[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N,6-N-tris[3,4-bis[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N,6-N-tris[3,4-bis[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine is CCCCCCCCCCCCOCCOCCOCCOCCOc1ccc(N(C)c2nc(N(C)c3ccc(OCCOCCOCCOCCOCCCCCCCCCCCC)c(OCCOCCOCCOCCOCCCCCCCCCCCC)c3)nc(N(C)c3ccc(OCCOCCOCCOCCOCCCCCCCCCCCC)c(OCCOCCOCCOCCOCCCCCCCCCCCC)c3)n2)cc1OCCOCCOCCOCCOCCCCCCCCCCCC.
What is the InChIKey of 2-N,4-N,6-N-tris[3,4-bis[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is QUFMOTHHFLOMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C144H264N6O30/c1-10-16-22-28-34-40-46-52-58-64-76-151-82-88-157-94-100-163-106-112-169-118-124-175-136-73-70-133(130-139(136)178-127-121-172-115-109-166-103-97-160-91-85-154-79-67-61-55-49-43-37-31-25-19-13-4)148(7)142-145-143(149(8)134-71-74-137(176-125-119-170-113-107-164-101-95-158-89-83-152-77-65-59-53-47-41-35-29-23-17-11-2)140(131-134)179-128-122-173-116-110-167-104-98-161-92-86-155-80-68-62-56-50-44-38-32-26-20-14-5)147-144(146-142)150(9)135-72-75-138(177-126-120-171-114-108-165-102-96-159-90-84-153-78-66-60-54-48-42-36-30-24-18-12-3)141(132-135)180-129-123-174-117-111-168-105-99-162-93-87-156-81-69-63-57-51-45-39-33-27-21-15-6/h70-75,130-132H,10-69,76-129H2,1-9H3.
What are the key properties of 2-N,4-N,6-N-tris[3,4-bis[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
2-N,4-N,6-N-tris[3,4-bis[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 2559.71 g/mol, XLogP of 31.37, 150 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,6-N-tris[3,4-bis[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 58609247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).