1-[4-[4-[4-[4-[4-[4-[3,5-bis[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propoxy]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3,5-bis[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propoxy]phenyl]benzene

C144H194O36 — CID 102206605

About 1-[4-[4-[4-[4-[4-[4-[3,5-bis[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propoxy]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3,5-bis[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propoxy]phenyl]benzene

1-[4-[4-[4-[4-[4-[4-[3,5-bis[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propoxy]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3,5-bis[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propoxy]phenyl]benzene (PubChem CID 102206605) has the molecular formula C144H194O36 and a molecular weight of 2501.10 g/mol. Its IUPAC name is 1-[4-[4-[4-[4-[4-[4-[3,5-bis[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propoxy]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3,5-bis[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propoxy]phenyl]benzene.

Molecular Properties

• Compound Name: 1-[4-[4-[4-[4-[4-[4-[3,5-bis[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propoxy]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3,5-bis[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propoxy]phenyl]benzene
• PubChem CID: 102206605
• Molecular Formula: C144H194O36
• Molecular Weight: 2501.10 g/mol
• Exact Mass: 2499.33
• IUPAC Name: 1-[4-[4-[4-[4-[4-[4-[3,5-bis[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propoxy]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3,5-bis[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propoxy]phenyl]benzene
• SMILES: COCCOCCOCCOCC(COCCOCCOCCOC)COc1ccc(-c2cc(-c3ccc(OCC(COCCOCCOCCOC)COCCOCCOCCOC)cc3)cc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccc(-c9cc(-c%10ccc(OCC(COCCOCCOCCOC)COCCOCCOCCOC)cc%10)cc(-c%10ccc(OCC(COCCOCCOCCOC)COCCOCCOCCOC)cc%10)c9)cc8)cc7)cc6)cc5)cc4)cc3)c2)cc1
• InChI: InChI=1S/C144H194O36/c1-145-49-57-153-65-73-161-81-89-169-103-115(104-170-90-82-162-74-66-154-58-50-146-2)111-177-141-41-33-131(34-42-141)137-97-135(98-138(101-137)132-35-43-142(44-36-132)178-112-116(105-171-91-83-163-75-67-155-59-51-147-3)106-172-92-84-164-76-68-156-60-52-148-4)129-29-25-127(26-30-129)125-21-17-123(18-22-125)121-13-9-119(10-14-121)120-11-15-122(16-12-120)124-19-23-126(24-20-124)128-27-31-130(32-28-128)136-99-139(133-37-45-143(46-38-133)179-113-117(107-173-93-85-165-77-69-157-61-53-149-5)108-174-94-86-166-78-70-158-62-54-150-6)102-140(100-136)134-39-47-144(48-40-134)180-114-118(109-175-95-87-167-79-71-159-63-55-151-7)110-176-96-88-168-80-72-160-64-56-152-8/h9-48,97-102,115-118H,49-96,103-114H2,1-8H3
• InChIKey: ONIIFZAVGQTMML-UHFFFAOYSA-N
• XLogP: 21.57
• TPSA: 332.28 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 111
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2501.10
LogP ≤ 5	21.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[4-[4-[4-[4-[3,5-bis[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propoxy]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3,5-bis[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propoxy]phenyl]benzene?

The IUPAC name of 1-[4-[4-[4-[4-[4-[4-[3,5-bis[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propoxy]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3,5-bis[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propoxy]phenyl]benzene (CID 102206605) is 1-[4-[4-[4-[4-[4-[4-[3,5-bis[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propoxy]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3,5-bis[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propoxy]phenyl]benzene.

What is the SMILES notation for 1-[4-[4-[4-[4-[4-[4-[3,5-bis[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propoxy]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3,5-bis[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propoxy]phenyl]benzene?

The canonical SMILES for 1-[4-[4-[4-[4-[4-[4-[3,5-bis[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propoxy]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3,5-bis[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propoxy]phenyl]benzene is COCCOCCOCCOCC(COCCOCCOCCOC)COc1ccc(-c2cc(-c3ccc(OCC(COCCOCCOCCOC)COCCOCCOCCOC)cc3)cc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccc(-c9cc(-c%10ccc(OCC(COCCOCCOCCOC)COCCOCCOCCOC)cc%10)cc(-c%10ccc(OCC(COCCOCCOCCOC)COCCOCCOCCOC)cc%10)c9)cc8)cc7)cc6)cc5)cc4)cc3)c2)cc1.

What is the InChIKey of 1-[4-[4-[4-[4-[4-[4-[3,5-bis[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propoxy]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3,5-bis[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propoxy]phenyl]benzene?

The InChIKey is ONIIFZAVGQTMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C144H194O36/c1-145-49-57-153-65-73-161-81-89-169-103-115(104-170-90-82-162-74-66-154-58-50-146-2)111-177-141-41-33-131(34-42-141)137-97-135(98-138(101-137)132-35-43-142(44-36-132)178-112-116(105-171-91-83-163-75-67-155-59-51-147-3)106-172-92-84-164-76-68-156-60-52-148-4)129-29-25-127(26-30-129)125-21-17-123(18-22-125)121-13-9-119(10-14-121)120-11-15-122(16-12-120)124-19-23-126(24-20-124)128-27-31-130(32-28-128)136-99-139(133-37-45-143(46-38-133)179-113-117(107-173-93-85-165-77-69-157-61-53-149-5)108-174-94-86-166-78-70-158-62-54-150-6)102-140(100-136)134-39-47-144(48-40-134)180-114-118(109-175-95-87-167-79-71-159-63-55-151-7)110-176-96-88-168-80-72-160-64-56-152-8/h9-48,97-102,115-118H,49-96,103-114H2,1-8H3.

What are the key properties of 1-[4-[4-[4-[4-[4-[4-[3,5-bis[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propoxy]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3,5-bis[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propoxy]phenyl]benzene?

1-[4-[4-[4-[4-[4-[4-[3,5-bis[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propoxy]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3,5-bis[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propoxy]phenyl]benzene has a molecular weight of 2501.10 g/mol, XLogP of 21.57, 111 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[4-[4-[4-[4-[3,5-bis[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propoxy]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3,5-bis[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propoxy]phenyl]benzene is sourced from PubChem (CID 102206605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).