2-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]cyclohexyl]octyl]-5-[2-[4-[[4-[5-[2-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]cyclohexyl]octyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione

C99H126N6O14 — CID 153461048

IUPAC2-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]cyclohexyl]octyl]-5-[2-[4-[[4-[5-[2-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]cyclohexyl]octyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
SMILESCC1CC(CC2CCC(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(CCCCCCCCC5CCCCC5CCCCCCCCN5C(=O)C=CC5=O)C6=O)cc4C3=O)C(C)C2)CCC1N1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(CCCCCCCCC3CCCCC3CCCCCCCCN3C(=O)C=CC3=O)C4=O)cc2C1=O
InChIInChI=1S/C99H126N6O14/c1-66-59-68(39-49-86(66)104-96(114)80-47-43-76(64-84(80)98(104)116)118-74-41-45-78-82(62-74)94(112)102(92(78)110)57-29-17-9-5-13-21-33-72-37-25-23-35-70(72)31-19-11-3-7-15-27-55-100-88(106)51-52-89(100)107)61-69-40-50-87(67(2)60-69)105-97(115)81-48-44-77(65-85(81)99(105)117)119-75-42-46-79-83(63-75)95(113)103(93(79)111)58-30-18-10-6-14-22-34-73-38-26-24-36-71(73)32-20-12-4-8-16-28-56-101-90(108)53-54-91(101)109/h41-48,51-54,62-73,86-87H,3-40,49-50,55-61H2,1-2H3
InChIKeyYUPFHPPTAWRVHC-UHFFFAOYSA-N
MW1624.12 g/mol
LogP20.74
Rot. Bonds44

About 2-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]cyclohexyl]octyl]-5-[2-[4-[[4-[5-[2-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]cyclohexyl]octyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione

2-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]cyclohexyl]octyl]-5-[2-[4-[[4-[5-[2-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]cyclohexyl]octyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione (PubChem CID 153461048) has the molecular formula C99H126N6O14 and a molecular weight of 1624.12 g/mol. Its IUPAC name is 2-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]cyclohexyl]octyl]-5-[2-[4-[[4-[5-[2-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]cyclohexyl]octyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]cyclohexyl]octyl]-5-[2-[4-[[4-[5-[2-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]cyclohexyl]octyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
PubChem CID153461048
Molecular FormulaC99H126N6O14
Molecular Weight1624.12 g/mol
Exact Mass1622.93
IUPAC Name2-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]cyclohexyl]octyl]-5-[2-[4-[[4-[5-[2-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]cyclohexyl]octyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
SMILESCC1CC(CC2CCC(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(CCCCCCCCC5CCCCC5CCCCCCCCN5C(=O)C=CC5=O)C6=O)cc4C3=O)C(C)C2)CCC1N1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(CCCCCCCCC3CCCCC3CCCCCCCCN3C(=O)C=CC3=O)C4=O)cc2C1=O
InChIInChI=1S/C99H126N6O14/c1-66-59-68(39-49-86(66)104-96(114)80-47-43-76(64-84(80)98(104)116)118-74-41-45-78-82(62-74)94(112)102(92(78)110)57-29-17-9-5-13-21-33-72-37-25-23-35-70(72)31-19-11-3-7-15-27-55-100-88(106)51-52-89(100)107)61-69-40-50-87(67(2)60-69)105-97(115)81-48-44-77(65-85(81)99(105)117)119-75-42-46-79-83(63-75)95(113)103(93(79)111)58-30-18-10-6-14-22-34-73-38-26-24-36-71(73)32-20-12-4-8-16-28-56-101-90(108)53-54-91(101)109/h41-48,51-54,62-73,86-87H,3-40,49-50,55-61H2,1-2H3
InChIKeyYUPFHPPTAWRVHC-UHFFFAOYSA-N
XLogP20.74
TPSA242.74 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds44
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001624.12
LogP ≤ 520.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]cyclohexyl]octyl]-5-[2-[4-[[4-[5-[2-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]cyclohexyl]octyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]cyclohexyl]octyl]-5-[2-[4-[[4-[5-[2-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]cyclohexyl]octyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The IUPAC name of 2-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]cyclohexyl]octyl]-5-[2-[4-[[4-[5-[2-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]cyclohexyl]octyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione (CID 153461048) is 2-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]cyclohexyl]octyl]-5-[2-[4-[[4-[5-[2-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]cyclohexyl]octyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione.
What is the SMILES notation for 2-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]cyclohexyl]octyl]-5-[2-[4-[[4-[5-[2-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]cyclohexyl]octyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The canonical SMILES for 2-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]cyclohexyl]octyl]-5-[2-[4-[[4-[5-[2-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]cyclohexyl]octyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione is CC1CC(CC2CCC(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(CCCCCCCCC5CCCCC5CCCCCCCCN5C(=O)C=CC5=O)C6=O)cc4C3=O)C(C)C2)CCC1N1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(CCCCCCCCC3CCCCC3CCCCCCCCN3C(=O)C=CC3=O)C4=O)cc2C1=O.
What is the InChIKey of 2-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]cyclohexyl]octyl]-5-[2-[4-[[4-[5-[2-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]cyclohexyl]octyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The InChIKey is YUPFHPPTAWRVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H126N6O14/c1-66-59-68(39-49-86(66)104-96(114)80-47-43-76(64-84(80)98(104)116)118-74-41-45-78-82(62-74)94(112)102(92(78)110)57-29-17-9-5-13-21-33-72-37-25-23-35-70(72)31-19-11-3-7-15-27-55-100-88(106)51-52-89(100)107)61-69-40-50-87(67(2)60-69)105-97(115)81-48-44-77(65-85(81)99(105)117)119-75-42-46-79-83(63-75)95(113)103(93(79)111)58-30-18-10-6-14-22-34-73-38-26-24-36-71(73)32-20-12-4-8-16-28-56-101-90(108)53-54-91(101)109/h41-48,51-54,62-73,86-87H,3-40,49-50,55-61H2,1-2H3.
What are the key properties of 2-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]cyclohexyl]octyl]-5-[2-[4-[[4-[5-[2-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]cyclohexyl]octyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
2-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]cyclohexyl]octyl]-5-[2-[4-[[4-[5-[2-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]cyclohexyl]octyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione has a molecular weight of 1624.12 g/mol, XLogP of 20.74, 44 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]cyclohexyl]octyl]-5-[2-[4-[[4-[5-[2-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]cyclohexyl]octyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione is sourced from PubChem (CID 153461048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).