[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

C104H65O19P3S3 — CID 153454572

IUPAC[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
SMILESO=C(Oc1cc(P2(=O)Oc3ccccc3-c3ccccc32)c(OC(=O)c2cccc3ccccc23)c2ccccc12)c1ccc(S(=O)(=O)c2ccc(S(=O)(=O)c3ccc(P(=O)(c4ccccc4)c4ccc(S(=O)(=O)c5ccc(C(=O)Oc6c(P7(=O)Oc8ccccc8-c8ccccc87)cc(OC(=O)c7cccc8ccccc78)c7ccccc67)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C104H65O19P3S3/c105-101(118-93-64-98(126(111)96-43-19-15-35-86(96)82-31-13-17-41-92(82)123-126)100(88-37-11-8-32-83(88)93)121-104(108)90-39-21-25-67-23-5-7-29-80(67)90)68-44-52-74(53-45-68)128(114,115)77-60-62-78(63-61-77)129(116,117)76-58-50-72(51-59-76)124(109,70-26-2-1-3-27-70)71-48-56-75(57-49-71)127(112,113)73-54-46-69(47-55-73)102(106)120-99-87-36-10-9-33-84(87)94(119-103(107)89-38-20-24-66-22-4-6-28-79(66)89)65-97(99)125(110)95-42-18-14-34-85(95)81-30-12-16-40-91(81)122-125/h1-65H
InChIKeyCRXQOKWRQQEJNK-UHFFFAOYSA-N
MW1807.77 g/mol
LogP19.89
Rot. Bonds19

About [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

[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 (PubChem CID 153454572) has the molecular formula C104H65O19P3S3 and a molecular weight of 1807.77 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID153454572
Molecular FormulaC104H65O19P3S3
Molecular Weight1807.77 g/mol
Exact Mass1806.25
IUPAC Name[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
SMILESO=C(Oc1cc(P2(=O)Oc3ccccc3-c3ccccc32)c(OC(=O)c2cccc3ccccc23)c2ccccc12)c1ccc(S(=O)(=O)c2ccc(S(=O)(=O)c3ccc(P(=O)(c4ccccc4)c4ccc(S(=O)(=O)c5ccc(C(=O)Oc6c(P7(=O)Oc8ccccc8-c8ccccc87)cc(OC(=O)c7cccc8ccccc78)c7ccccc67)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C104H65O19P3S3/c105-101(118-93-64-98(126(111)96-43-19-15-35-86(96)82-31-13-17-41-92(82)123-126)100(88-37-11-8-32-83(88)93)121-104(108)90-39-21-25-67-23-5-7-29-80(67)90)68-44-52-74(53-45-68)128(114,115)77-60-62-78(63-61-77)129(116,117)76-58-50-72(51-59-76)124(109,70-26-2-1-3-27-70)71-48-56-75(57-49-71)127(112,113)73-54-46-69(47-55-73)102(106)120-99-87-36-10-9-33-84(87)94(119-103(107)89-38-20-24-66-22-4-6-28-79(66)89)65-97(99)125(110)95-42-18-14-34-85(95)81-30-12-16-40-91(81)122-125/h1-65H
InChIKeyCRXQOKWRQQEJNK-UHFFFAOYSA-N
XLogP19.89
TPSA277.29 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001807.77
LogP ≤ 519.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze [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 with MolForge

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Related Compounds

[4-[(1,3-dioxo-2-benzofuran-5-yl)-hydroxymethoxy]-3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)naphthalen-1-yl] 1,3-dioxo-2-benzofuran-5-carboxylate
CID 144909937
[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
(3-benzoyloxy-4-formylnaphthalen-2-yl) naphthalene-1-carboxylate
CID 19978902
(8-benzoyloxynaphthalen-1-yl) naphthalene-1-carboxylate
CID 175286070
2-diphenylphosphoryl-3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diol
CID 102496741
(2-phenylphenyl) naphthalene-1-carboxylate
CID 91722072
2-(naphthalene-1-carbonyloxy)benzoic acid
CID 54147008
diphenyl naphthalene-1,6-dicarboxylate
CID 66591582
dinaphthalen-1-yl benzene-1,2-dicarboxylate
CID 14047654
(2,4,6-tribromophenyl) naphthalene-1-carboxylate
CID 4586991
dinaphthalen-1-yl 2-methylbenzene-1,4-dicarboxylate
CID 139985706
naphthalene-1-carbonyl 4-fluoro-2-(naphthalene-1-carbonyloxy)naphthalene-1-carboxylate
CID 174478556

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is O=C(Oc1cc(P2(=O)Oc3ccccc3-c3ccccc32)c(OC(=O)c2cccc3ccccc23)c2ccccc12)c1ccc(S(=O)(=O)c2ccc(S(=O)(=O)c3ccc(P(=O)(c4ccccc4)c4ccc(S(=O)(=O)c5ccc(C(=O)Oc6c(P7(=O)Oc8ccccc8-c8ccccc87)cc(OC(=O)c7cccc8ccccc78)c7ccccc67)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of [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?
The InChIKey is CRXQOKWRQQEJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H65O19P3S3/c105-101(118-93-64-98(126(111)96-43-19-15-35-86(96)82-31-13-17-41-92(82)123-126)100(88-37-11-8-32-83(88)93)121-104(108)90-39-21-25-67-23-5-7-29-80(67)90)68-44-52-74(53-45-68)128(114,115)77-60-62-78(63-61-77)129(116,117)76-58-50-72(51-59-76)124(109,70-26-2-1-3-27-70)71-48-56-75(57-49-71)127(112,113)73-54-46-69(47-55-73)102(106)120-99-87-36-10-9-33-84(87)94(119-103(107)89-38-20-24-66-22-4-6-28-79(66)89)65-97(99)125(110)95-42-18-14-34-85(95)81-30-12-16-40-91(81)122-125/h1-65H.
What are the key properties of [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?
[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 has a molecular weight of 1807.77 g/mol, XLogP of 19.89, 19 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 153454572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).