[4-[4-[[4-[4-[4-[4-[[4-[4-[4-[[4-[4-[hydroperoxy(naphthalen-1-yl)methyl]phenyl]phenoxy]-phenylphosphoryl]oxyphenyl]phenoxy]carbonylsulfonylphenyl]-phenylphosphoryl]phenyl]sulfonylbenzoyl]oxyphenyl]phenoxy]-phenylphosphoryl]oxyphenyl]phenyl] naphthalene-1-carboxylate

C108H75O19P3S2 — CID 153454577

IUPAC[4-[4-[[4-[4-[4-[4-[[4-[4-[4-[[4-[4-[hydroperoxy(naphthalen-1-yl)methyl]phenyl]phenoxy]-phenylphosphoryl]oxyphenyl]phenoxy]carbonylsulfonylphenyl]-phenylphosphoryl]phenyl]sulfonylbenzoyl]oxyphenyl]phenoxy]-phenylphosphoryl]oxyphenyl]phenyl] naphthalene-1-carboxylate
SMILESO=C(Oc1ccc(-c2ccc(OP(=O)(Oc3ccc(-c4ccc(OC(=O)c5cccc6ccccc56)cc4)cc3)c3ccccc3)cc2)cc1)c1ccc(S(=O)(=O)c2ccc(P(=O)(c3ccccc3)c3ccc(S(=O)(=O)C(=O)Oc4ccc(-c5ccc(OP(=O)(Oc6ccc(-c7ccc(C(OO)c8cccc9ccccc89)cc7)cc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C108H75O19P3S2/c109-106(120-86-50-34-75(35-51-86)79-42-58-90(59-43-79)125-130(115,97-24-8-3-9-25-97)126-91-60-44-80(45-61-91)76-36-52-87(53-37-76)121-107(110)104-29-15-19-83-17-11-13-27-102(83)104)85-48-68-98(69-49-85)131(116,117)99-70-64-94(65-71-99)128(113,93-20-4-1-5-21-93)95-66-72-100(73-67-95)132(118,119)108(111)122-88-54-38-77(39-55-88)81-46-62-92(63-47-81)127-129(114,96-22-6-2-7-23-96)124-89-56-40-78(41-57-89)74-30-32-84(33-31-74)105(123-112)103-28-14-18-82-16-10-12-26-101(82)103/h1-73,105,112H
InChIKeyMOYMYCNCPZYMPJ-UHFFFAOYSA-N
MW1833.82 g/mol
LogP24.08
Rot. Bonds28

About [4-[4-[[4-[4-[4-[4-[[4-[4-[4-[[4-[4-[hydroperoxy(naphthalen-1-yl)methyl]phenyl]phenoxy]-phenylphosphoryl]oxyphenyl]phenoxy]carbonylsulfonylphenyl]-phenylphosphoryl]phenyl]sulfonylbenzoyl]oxyphenyl]phenoxy]-phenylphosphoryl]oxyphenyl]phenyl] naphthalene-1-carboxylate

[4-[4-[[4-[4-[4-[4-[[4-[4-[4-[[4-[4-[hydroperoxy(naphthalen-1-yl)methyl]phenyl]phenoxy]-phenylphosphoryl]oxyphenyl]phenoxy]carbonylsulfonylphenyl]-phenylphosphoryl]phenyl]sulfonylbenzoyl]oxyphenyl]phenoxy]-phenylphosphoryl]oxyphenyl]phenyl] naphthalene-1-carboxylate (PubChem CID 153454577) has the molecular formula C108H75O19P3S2 and a molecular weight of 1833.82 g/mol. Its IUPAC name is [4-[4-[[4-[4-[4-[4-[[4-[4-[4-[[4-[4-[hydroperoxy(naphthalen-1-yl)methyl]phenyl]phenoxy]-phenylphosphoryl]oxyphenyl]phenoxy]carbonylsulfonylphenyl]-phenylphosphoryl]phenyl]sulfonylbenzoyl]oxyphenyl]phenoxy]-phenylphosphoryl]oxyphenyl]phenyl] naphthalene-1-carboxylate.

Molecular Properties

Compound Name[4-[4-[[4-[4-[4-[4-[[4-[4-[4-[[4-[4-[hydroperoxy(naphthalen-1-yl)methyl]phenyl]phenoxy]-phenylphosphoryl]oxyphenyl]phenoxy]carbonylsulfonylphenyl]-phenylphosphoryl]phenyl]sulfonylbenzoyl]oxyphenyl]phenoxy]-phenylphosphoryl]oxyphenyl]phenyl] naphthalene-1-carboxylate
PubChem CID153454577
Molecular FormulaC108H75O19P3S2
Molecular Weight1833.82 g/mol
Exact Mass1832.36
IUPAC Name[4-[4-[[4-[4-[4-[4-[[4-[4-[4-[[4-[4-[hydroperoxy(naphthalen-1-yl)methyl]phenyl]phenoxy]-phenylphosphoryl]oxyphenyl]phenoxy]carbonylsulfonylphenyl]-phenylphosphoryl]phenyl]sulfonylbenzoyl]oxyphenyl]phenoxy]-phenylphosphoryl]oxyphenyl]phenyl] naphthalene-1-carboxylate
SMILESO=C(Oc1ccc(-c2ccc(OP(=O)(Oc3ccc(-c4ccc(OC(=O)c5cccc6ccccc56)cc4)cc3)c3ccccc3)cc2)cc1)c1ccc(S(=O)(=O)c2ccc(P(=O)(c3ccccc3)c3ccc(S(=O)(=O)C(=O)Oc4ccc(-c5ccc(OP(=O)(Oc6ccc(-c7ccc(C(OO)c8cccc9ccccc89)cc7)cc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C108H75O19P3S2/c109-106(120-86-50-34-75(35-51-86)79-42-58-90(59-43-79)125-130(115,97-24-8-3-9-25-97)126-91-60-44-80(45-61-91)76-36-52-87(53-37-76)121-107(110)104-29-15-19-83-17-11-13-27-102(83)104)85-48-68-98(69-49-85)131(116,117)99-70-64-94(65-71-99)128(113,93-20-4-1-5-21-93)95-66-72-100(73-67-95)132(118,119)108(111)122-88-54-38-77(39-55-88)81-46-62-92(63-47-81)127-129(114,96-22-6-2-7-23-96)124-89-56-40-78(41-57-89)74-30-32-84(33-31-74)105(123-112)103-28-14-18-82-16-10-12-26-101(82)103/h1-73,105,112H
InChIKeyMOYMYCNCPZYMPJ-UHFFFAOYSA-N
XLogP24.08
TPSA264.77 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds28
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001833.82
LogP ≤ 524.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze [4-[4-[[4-[4-[4-[4-[[4-[4-[4-[[4-[4-[hydroperoxy(naphthalen-1-yl)methyl]phenyl]phenoxy]-phenylphosphoryl]oxyphenyl]phenoxy]carbonylsulfonylphenyl]-phenylphosphoryl]phenyl]sulfonylbenzoyl]oxyphenyl]phenoxy]-phenylphosphoryl]oxyphenyl]phenyl] naphthalene-1-carboxylate with MolForge

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Related Compounds

[4-[4-[4-[[4-[4-[4-[4-(naphthalene-1-carbonyloxy)-3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)naphthalen-1-yl]oxycarbonylphenyl]sulfonylphenyl]sulfonylphenyl]-phenylphosphoryl]phenyl]sulfonylbenzoyl]oxy-3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)naphthalen-1-yl] naphthalene-1-carboxylate
CID 153454572
diphenyl naphthalene-1,6-dicarboxylate
CID 66591582
[4-[4-(4-methoxybenzoyl)oxyphenyl]sulfonylphenyl] 4-methoxybenzoate
CID 2379395
(8-benzoyloxynaphthalen-1-yl) naphthalene-1-carboxylate
CID 175286070
[4-[(Z)-[[2-[(4-methylphenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
CID 6030741
naphthalen-1-yl-(4-phenylphenyl)methanone
CID 23218936
1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
CID 58982863
phenyl 5-hydroxynaphthalene-1-carboxylate
CID 19766520
[2-(4-acetyloxyphenyl)-2-oxoethyl] naphthalene-1-carboxylate
CID 3298622
[4-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
CID 3688388
[naphthalen-1-yl(phenyl)methyl] disulfanylformate
CID 163815998
[4-[(4-benzoyloxyphenyl)sulfonyl-diazomethyl]sulfonylphenyl] benzoate
CID 22460302

Frequently Asked Questions

What is the IUPAC name of [4-[4-[[4-[4-[4-[4-[[4-[4-[4-[[4-[4-[hydroperoxy(naphthalen-1-yl)methyl]phenyl]phenoxy]-phenylphosphoryl]oxyphenyl]phenoxy]carbonylsulfonylphenyl]-phenylphosphoryl]phenyl]sulfonylbenzoyl]oxyphenyl]phenoxy]-phenylphosphoryl]oxyphenyl]phenyl] naphthalene-1-carboxylate?
The IUPAC name of [4-[4-[[4-[4-[4-[4-[[4-[4-[4-[[4-[4-[hydroperoxy(naphthalen-1-yl)methyl]phenyl]phenoxy]-phenylphosphoryl]oxyphenyl]phenoxy]carbonylsulfonylphenyl]-phenylphosphoryl]phenyl]sulfonylbenzoyl]oxyphenyl]phenoxy]-phenylphosphoryl]oxyphenyl]phenyl] naphthalene-1-carboxylate (CID 153454577) is [4-[4-[[4-[4-[4-[4-[[4-[4-[4-[[4-[4-[hydroperoxy(naphthalen-1-yl)methyl]phenyl]phenoxy]-phenylphosphoryl]oxyphenyl]phenoxy]carbonylsulfonylphenyl]-phenylphosphoryl]phenyl]sulfonylbenzoyl]oxyphenyl]phenoxy]-phenylphosphoryl]oxyphenyl]phenyl] naphthalene-1-carboxylate.
What is the SMILES notation for [4-[4-[[4-[4-[4-[4-[[4-[4-[4-[[4-[4-[hydroperoxy(naphthalen-1-yl)methyl]phenyl]phenoxy]-phenylphosphoryl]oxyphenyl]phenoxy]carbonylsulfonylphenyl]-phenylphosphoryl]phenyl]sulfonylbenzoyl]oxyphenyl]phenoxy]-phenylphosphoryl]oxyphenyl]phenyl] naphthalene-1-carboxylate?
The canonical SMILES for [4-[4-[[4-[4-[4-[4-[[4-[4-[4-[[4-[4-[hydroperoxy(naphthalen-1-yl)methyl]phenyl]phenoxy]-phenylphosphoryl]oxyphenyl]phenoxy]carbonylsulfonylphenyl]-phenylphosphoryl]phenyl]sulfonylbenzoyl]oxyphenyl]phenoxy]-phenylphosphoryl]oxyphenyl]phenyl] naphthalene-1-carboxylate is O=C(Oc1ccc(-c2ccc(OP(=O)(Oc3ccc(-c4ccc(OC(=O)c5cccc6ccccc56)cc4)cc3)c3ccccc3)cc2)cc1)c1ccc(S(=O)(=O)c2ccc(P(=O)(c3ccccc3)c3ccc(S(=O)(=O)C(=O)Oc4ccc(-c5ccc(OP(=O)(Oc6ccc(-c7ccc(C(OO)c8cccc9ccccc89)cc7)cc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[4-[[4-[4-[4-[4-[[4-[4-[4-[[4-[4-[hydroperoxy(naphthalen-1-yl)methyl]phenyl]phenoxy]-phenylphosphoryl]oxyphenyl]phenoxy]carbonylsulfonylphenyl]-phenylphosphoryl]phenyl]sulfonylbenzoyl]oxyphenyl]phenoxy]-phenylphosphoryl]oxyphenyl]phenyl] naphthalene-1-carboxylate?
The InChIKey is MOYMYCNCPZYMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H75O19P3S2/c109-106(120-86-50-34-75(35-51-86)79-42-58-90(59-43-79)125-130(115,97-24-8-3-9-25-97)126-91-60-44-80(45-61-91)76-36-52-87(53-37-76)121-107(110)104-29-15-19-83-17-11-13-27-102(83)104)85-48-68-98(69-49-85)131(116,117)99-70-64-94(65-71-99)128(113,93-20-4-1-5-21-93)95-66-72-100(73-67-95)132(118,119)108(111)122-88-54-38-77(39-55-88)81-46-62-92(63-47-81)127-129(114,96-22-6-2-7-23-96)124-89-56-40-78(41-57-89)74-30-32-84(33-31-74)105(123-112)103-28-14-18-82-16-10-12-26-101(82)103/h1-73,105,112H.
What are the key properties of [4-[4-[[4-[4-[4-[4-[[4-[4-[4-[[4-[4-[hydroperoxy(naphthalen-1-yl)methyl]phenyl]phenoxy]-phenylphosphoryl]oxyphenyl]phenoxy]carbonylsulfonylphenyl]-phenylphosphoryl]phenyl]sulfonylbenzoyl]oxyphenyl]phenoxy]-phenylphosphoryl]oxyphenyl]phenyl] naphthalene-1-carboxylate?
[4-[4-[[4-[4-[4-[4-[[4-[4-[4-[[4-[4-[hydroperoxy(naphthalen-1-yl)methyl]phenyl]phenoxy]-phenylphosphoryl]oxyphenyl]phenoxy]carbonylsulfonylphenyl]-phenylphosphoryl]phenyl]sulfonylbenzoyl]oxyphenyl]phenoxy]-phenylphosphoryl]oxyphenyl]phenyl] naphthalene-1-carboxylate has a molecular weight of 1833.82 g/mol, XLogP of 24.08, 28 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[[4-[4-[4-[4-[[4-[4-[4-[[4-[4-[hydroperoxy(naphthalen-1-yl)methyl]phenyl]phenoxy]-phenylphosphoryl]oxyphenyl]phenoxy]carbonylsulfonylphenyl]-phenylphosphoryl]phenyl]sulfonylbenzoyl]oxyphenyl]phenoxy]-phenylphosphoryl]oxyphenyl]phenyl] naphthalene-1-carboxylate is sourced from PubChem (CID 153454577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).