4-[2-[[6-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]-4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)-2-pyridinyl]methoxy]naphthalen-1-yl]-3-hydroxynaphthalene-2-carbaldehyde

C60H38F17NO7 — CID 164681903

IUPAC4-[2-[[6-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]-4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)-2-pyridinyl]methoxy]naphthalen-1-yl]-3-hydroxynaphthalene-2-carbaldehyde
SMILESO=Cc1cc2ccccc2c(-c2c(OCc3cc(OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(COc4ccc5ccccc5c4-c4c(O)c(C=O)cc5ccccc45)n3)ccc3ccccc23)c1O
InChIInChI=1S/C60H38F17NO7/c61-53(62,54(63,64)55(65,66)56(67,68)57(69,70)58(71,72)59(73,74)60(75,76)77)22-9-23-83-40-26-38(30-84-45-20-18-32-10-1-5-14-41(32)47(45)49-43-16-7-3-12-34(43)24-36(28-79)51(49)81)78-39(27-40)31-85-46-21-19-33-11-2-6-15-42(33)48(46)50-44-17-8-4-13-35(44)25-37(29-80)52(50)82/h1-8,10-21,24-29,81-82H,9,22-23,30-31H2
InChIKeyGADSJQJLRNNBOV-UHFFFAOYSA-N
MW1207.93 g/mol
LogP17.39
Rot. Bonds21

About 4-[2-[[6-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]-4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)-2-pyridinyl]methoxy]naphthalen-1-yl]-3-hydroxynaphthalene-2-carbaldehyde

4-[2-[[6-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]-4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)-2-pyridinyl]methoxy]naphthalen-1-yl]-3-hydroxynaphthalene-2-carbaldehyde (PubChem CID 164681903) has the molecular formula C60H38F17NO7 and a molecular weight of 1207.93 g/mol. Its IUPAC name is 4-[2-[[6-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]-4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)-2-pyridinyl]methoxy]naphthalen-1-yl]-3-hydroxynaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name4-[2-[[6-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]-4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)-2-pyridinyl]methoxy]naphthalen-1-yl]-3-hydroxynaphthalene-2-carbaldehyde
PubChem CID164681903
Molecular FormulaC60H38F17NO7
Molecular Weight1207.93 g/mol
Exact Mass1207.24
IUPAC Name4-[2-[[6-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]-4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)-2-pyridinyl]methoxy]naphthalen-1-yl]-3-hydroxynaphthalene-2-carbaldehyde
SMILESO=Cc1cc2ccccc2c(-c2c(OCc3cc(OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(COc4ccc5ccccc5c4-c4c(O)c(C=O)cc5ccccc45)n3)ccc3ccccc23)c1O
InChIInChI=1S/C60H38F17NO7/c61-53(62,54(63,64)55(65,66)56(67,68)57(69,70)58(71,72)59(73,74)60(75,76)77)22-9-23-83-40-26-38(30-84-45-20-18-32-10-1-5-14-41(32)47(45)49-43-16-7-3-12-34(43)24-36(28-79)51(49)81)78-39(27-40)31-85-46-21-19-33-11-2-6-15-42(33)48(46)50-44-17-8-4-13-35(44)25-37(29-80)52(50)82/h1-8,10-21,24-29,81-82H,9,22-23,30-31H2
InChIKeyGADSJQJLRNNBOV-UHFFFAOYSA-N
XLogP17.39
TPSA115.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001207.93
LogP ≤ 517.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[6-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]-4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)-2-pyridinyl]methoxy]naphthalen-1-yl]-3-hydroxynaphthalene-2-carbaldehyde?
The IUPAC name of 4-[2-[[6-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]-4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)-2-pyridinyl]methoxy]naphthalen-1-yl]-3-hydroxynaphthalene-2-carbaldehyde (CID 164681903) is 4-[2-[[6-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]-4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)-2-pyridinyl]methoxy]naphthalen-1-yl]-3-hydroxynaphthalene-2-carbaldehyde.
What is the SMILES notation for 4-[2-[[6-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]-4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)-2-pyridinyl]methoxy]naphthalen-1-yl]-3-hydroxynaphthalene-2-carbaldehyde?
The canonical SMILES for 4-[2-[[6-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]-4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)-2-pyridinyl]methoxy]naphthalen-1-yl]-3-hydroxynaphthalene-2-carbaldehyde is O=Cc1cc2ccccc2c(-c2c(OCc3cc(OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(COc4ccc5ccccc5c4-c4c(O)c(C=O)cc5ccccc45)n3)ccc3ccccc23)c1O.
What is the InChIKey of 4-[2-[[6-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]-4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)-2-pyridinyl]methoxy]naphthalen-1-yl]-3-hydroxynaphthalene-2-carbaldehyde?
The InChIKey is GADSJQJLRNNBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38F17NO7/c61-53(62,54(63,64)55(65,66)56(67,68)57(69,70)58(71,72)59(73,74)60(75,76)77)22-9-23-83-40-26-38(30-84-45-20-18-32-10-1-5-14-41(32)47(45)49-43-16-7-3-12-34(43)24-36(28-79)51(49)81)78-39(27-40)31-85-46-21-19-33-11-2-6-15-42(33)48(46)50-44-17-8-4-13-35(44)25-37(29-80)52(50)82/h1-8,10-21,24-29,81-82H,9,22-23,30-31H2.
What are the key properties of 4-[2-[[6-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]-4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)-2-pyridinyl]methoxy]naphthalen-1-yl]-3-hydroxynaphthalene-2-carbaldehyde?
4-[2-[[6-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]-4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)-2-pyridinyl]methoxy]naphthalen-1-yl]-3-hydroxynaphthalene-2-carbaldehyde has a molecular weight of 1207.93 g/mol, XLogP of 17.39, 21 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[6-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]-4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)-2-pyridinyl]methoxy]naphthalen-1-yl]-3-hydroxynaphthalene-2-carbaldehyde is sourced from PubChem (CID 164681903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).