2,6-bis[2,6-bis[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]hexanoylamino]hexanoic acid

C162H166N14O24 — CID 166508242

About 2,6-bis[2,6-bis[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]hexanoylamino]hexanoic acid

2,6-bis[2,6-bis[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]hexanoylamino]hexanoic acid (PubChem CID 166508242) has the molecular formula C162H166N14O24 and a molecular weight of 2693.18 g/mol. Its IUPAC name is 2,6-bis[2,6-bis[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]hexanoylamino]hexanoic acid.

Molecular Properties

• Compound Name: 2,6-bis[2,6-bis[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]hexanoylamino]hexanoic acid
• PubChem CID: 166508242
• Molecular Formula: C162H166N14O24
• Molecular Weight: 2693.18 g/mol
• Exact Mass: 2691.22
• IUPAC Name: 2,6-bis[2,6-bis[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]hexanoylamino]hexanoic acid
• SMILES: O=C(NCCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCCC(NC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCCC(NC(=O)C(CCCCNC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C162H166N14O24/c177-148(141(170-152(181)145(175-161(191)199-99-139-129-75-29-13-59-113(129)114-60-14-30-76-130(114)139)83-37-45-91-168-157(187)195-95-135-121-67-21-5-51-105(121)106-52-6-22-68-122(106)135)79-33-40-86-164-149(178)142(173-159(189)197-97-137-125-71-25-9-55-109(125)110-56-10-26-72-126(110)137)80-35-43-89-166-155(185)193-93-133-117-63-17-1-47-101(117)102-48-2-18-64-118(102)133)163-88-42-39-85-147(154(183)184)172-151(180)144(171-153(182)146(176-162(192)200-100-140-131-77-31-15-61-115(131)116-62-16-32-78-132(116)140)84-38-46-92-169-158(188)196-96-136-123-69-23-7-53-107(123)108-54-8-24-70-124(108)136)82-34-41-87-165-150(179)143(174-160(190)198-98-138-127-73-27-11-57-111(127)112-58-12-28-74-128(112)138)81-36-44-90-167-156(186)194-94-134-119-65-19-3-49-103(119)104-50-4-20-66-120(104)134/h1-32,47-78,133-147H,33-46,79-100H2,(H,163,177)(H,164,178)(H,165,179)(H,166,185)(H,167,186)(H,168,187)(H,169,188)(H,170,181)(H,171,182)(H,172,180)(H,173,189)(H,174,190)(H,175,191)(H,176,192)(H,183,184)
• InChIKey: GPJGHZLGEYJFCK-UHFFFAOYSA-N
• XLogP: 25.85
• TPSA: 518.54 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 23
• Rotatable Bonds: 65
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2693.18
LogP ≤ 5	25.85
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2,6-bis[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]hexanoylamino]hexanoic acid?

The IUPAC name of 2,6-bis[2,6-bis[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]hexanoylamino]hexanoic acid (CID 166508242) is 2,6-bis[2,6-bis[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]hexanoylamino]hexanoic acid.

What is the SMILES notation for 2,6-bis[2,6-bis[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]hexanoylamino]hexanoic acid?

The canonical SMILES for 2,6-bis[2,6-bis[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]hexanoylamino]hexanoic acid is O=C(NCCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCCC(NC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCCC(NC(=O)C(CCCCNC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of 2,6-bis[2,6-bis[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]hexanoylamino]hexanoic acid?

The InChIKey is GPJGHZLGEYJFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C162H166N14O24/c177-148(141(170-152(181)145(175-161(191)199-99-139-129-75-29-13-59-113(129)114-60-14-30-76-130(114)139)83-37-45-91-168-157(187)195-95-135-121-67-21-5-51-105(121)106-52-6-22-68-122(106)135)79-33-40-86-164-149(178)142(173-159(189)197-97-137-125-71-25-9-55-109(125)110-56-10-26-72-126(110)137)80-35-43-89-166-155(185)193-93-133-117-63-17-1-47-101(117)102-48-2-18-64-118(102)133)163-88-42-39-85-147(154(183)184)172-151(180)144(171-153(182)146(176-162(192)200-100-140-131-77-31-15-61-115(131)116-62-16-32-78-132(116)140)84-38-46-92-169-158(188)196-96-136-123-69-23-7-53-107(123)108-54-8-24-70-124(108)136)82-34-41-87-165-150(179)143(174-160(190)198-98-138-127-73-27-11-57-111(127)112-58-12-28-74-128(112)138)81-36-44-90-167-156(186)194-94-134-119-65-19-3-49-103(119)104-50-4-20-66-120(104)134/h1-32,47-78,133-147H,33-46,79-100H2,(H,163,177)(H,164,178)(H,165,179)(H,166,185)(H,167,186)(H,168,187)(H,169,188)(H,170,181)(H,171,182)(H,172,180)(H,173,189)(H,174,190)(H,175,191)(H,176,192)(H,183,184).

What are the key properties of 2,6-bis[2,6-bis[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]hexanoylamino]hexanoic acid?

2,6-bis[2,6-bis[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]hexanoylamino]hexanoic acid has a molecular weight of 2693.18 g/mol, XLogP of 25.85, 65 rotatable bonds, 15 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-bis[2,6-bis[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]hexanoylamino]hexanoic acid is sourced from PubChem (CID 166508242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).