[6-[[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 3-(2-naphthalen-1-ylethyl)-1H-pyrazole-5-carboxylate

C120H82N2O22 — CID 164819946

IUPAC[6-[[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 3-(2-naphthalen-1-ylethyl)-1H-pyrazole-5-carboxylate
SMILESCC(C)(C)OC(=O)c1cc(OC(=O)c2cc(OC(=O)c3cc(OC(=O)c4cc(OC(=O)c5cc(OC(=O)c6cc(CCc7cccc8ccccc78)n[nH]6)c6c(c5)OC(c5ccccc5)(c5ccccc5)O6)c5c(c4)OC(c4ccccc4)(c4ccccc4)O5)c4c(c3)OC(c3ccccc3)(c3ccccc3)O4)c3c(c2)OC(c2ccccc2)(c2ccccc2)O3)c2c(c1)OC(c1ccccc1)(c1ccccc1)O2
InChIInChI=1S/C120H82N2O22/c1-115(2,3)144-113(127)80-67-97(107-103(72-80)138-120(142-107,89-56-30-12-31-57-89)90-58-32-13-33-59-90)132-111(125)78-65-95(105-101(70-78)136-118(140-105,85-48-22-8-23-49-85)86-50-24-9-25-51-86)130-109(123)76-63-94(104-99(68-76)134-116(139-104,81-40-14-4-15-41-81)82-42-16-5-17-43-82)129-110(124)77-64-96(106-100(69-77)135-117(141-106,83-44-18-6-19-45-83)84-46-20-7-21-47-84)131-112(126)79-66-98(108-102(71-79)137-119(143-108,87-52-26-10-27-53-87)88-54-28-11-29-55-88)133-114(128)93-73-91(121-122-93)62-61-75-39-36-38-74-37-34-35-60-92(74)75/h4-60,63-73H,61-62H2,1-3H3,(H,121,122)
InChIKeyKZYNFMAHMGMNEP-UHFFFAOYSA-N
MW1903.97 g/mol
LogP23.76
Rot. Bonds24

About [6-[[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 3-(2-naphthalen-1-ylethyl)-1H-pyrazole-5-carboxylate

[6-[[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 3-(2-naphthalen-1-ylethyl)-1H-pyrazole-5-carboxylate (PubChem CID 164819946) has the molecular formula C120H82N2O22 and a molecular weight of 1903.97 g/mol. Its IUPAC name is [6-[[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 3-(2-naphthalen-1-ylethyl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Name[6-[[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 3-(2-naphthalen-1-ylethyl)-1H-pyrazole-5-carboxylate
PubChem CID164819946
Molecular FormulaC120H82N2O22
Molecular Weight1903.97 g/mol
Exact Mass1902.54
IUPAC Name[6-[[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 3-(2-naphthalen-1-ylethyl)-1H-pyrazole-5-carboxylate
SMILESCC(C)(C)OC(=O)c1cc(OC(=O)c2cc(OC(=O)c3cc(OC(=O)c4cc(OC(=O)c5cc(OC(=O)c6cc(CCc7cccc8ccccc78)n[nH]6)c6c(c5)OC(c5ccccc5)(c5ccccc5)O6)c5c(c4)OC(c4ccccc4)(c4ccccc4)O5)c4c(c3)OC(c3ccccc3)(c3ccccc3)O4)c3c(c2)OC(c2ccccc2)(c2ccccc2)O3)c2c(c1)OC(c1ccccc1)(c1ccccc1)O2
InChIInChI=1S/C120H82N2O22/c1-115(2,3)144-113(127)80-67-97(107-103(72-80)138-120(142-107,89-56-30-12-31-57-89)90-58-32-13-33-59-90)132-111(125)78-65-95(105-101(70-78)136-118(140-105,85-48-22-8-23-49-85)86-50-24-9-25-51-86)130-109(123)76-63-94(104-99(68-76)134-116(139-104,81-40-14-4-15-41-81)82-42-16-5-17-43-82)129-110(124)77-64-96(106-100(69-77)135-117(141-106,83-44-18-6-19-45-83)84-46-20-7-21-47-84)131-112(126)79-66-98(108-102(71-79)137-119(143-108,87-52-26-10-27-53-87)88-54-28-11-29-55-88)133-114(128)93-73-91(121-122-93)62-61-75-39-36-38-74-37-34-35-60-92(74)75/h4-60,63-73H,61-62H2,1-3H3,(H,121,122)
InChIKeyKZYNFMAHMGMNEP-UHFFFAOYSA-N
XLogP23.76
TPSA278.78 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001903.97
LogP ≤ 523.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze [6-[[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 3-(2-naphthalen-1-ylethyl)-1H-pyrazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-[[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 3-(2-naphthalen-1-ylethyl)-1H-pyrazole-5-carboxylate?
The IUPAC name of [6-[[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 3-(2-naphthalen-1-ylethyl)-1H-pyrazole-5-carboxylate (CID 164819946) is [6-[[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 3-(2-naphthalen-1-ylethyl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for [6-[[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 3-(2-naphthalen-1-ylethyl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for [6-[[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 3-(2-naphthalen-1-ylethyl)-1H-pyrazole-5-carboxylate is CC(C)(C)OC(=O)c1cc(OC(=O)c2cc(OC(=O)c3cc(OC(=O)c4cc(OC(=O)c5cc(OC(=O)c6cc(CCc7cccc8ccccc78)n[nH]6)c6c(c5)OC(c5ccccc5)(c5ccccc5)O6)c5c(c4)OC(c4ccccc4)(c4ccccc4)O5)c4c(c3)OC(c3ccccc3)(c3ccccc3)O4)c3c(c2)OC(c2ccccc2)(c2ccccc2)O3)c2c(c1)OC(c1ccccc1)(c1ccccc1)O2.
What is the InChIKey of [6-[[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 3-(2-naphthalen-1-ylethyl)-1H-pyrazole-5-carboxylate?
The InChIKey is KZYNFMAHMGMNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H82N2O22/c1-115(2,3)144-113(127)80-67-97(107-103(72-80)138-120(142-107,89-56-30-12-31-57-89)90-58-32-13-33-59-90)132-111(125)78-65-95(105-101(70-78)136-118(140-105,85-48-22-8-23-49-85)86-50-24-9-25-51-86)130-109(123)76-63-94(104-99(68-76)134-116(139-104,81-40-14-4-15-41-81)82-42-16-5-17-43-82)129-110(124)77-64-96(106-100(69-77)135-117(141-106,83-44-18-6-19-45-83)84-46-20-7-21-47-84)131-112(126)79-66-98(108-102(71-79)137-119(143-108,87-52-26-10-27-53-87)88-54-28-11-29-55-88)133-114(128)93-73-91(121-122-93)62-61-75-39-36-38-74-37-34-35-60-92(74)75/h4-60,63-73H,61-62H2,1-3H3,(H,121,122).
What are the key properties of [6-[[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 3-(2-naphthalen-1-ylethyl)-1H-pyrazole-5-carboxylate?
[6-[[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 3-(2-naphthalen-1-ylethyl)-1H-pyrazole-5-carboxylate has a molecular weight of 1903.97 g/mol, XLogP of 23.76, 24 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 3-(2-naphthalen-1-ylethyl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 164819946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).