1,1,4,4-tetranaphthalen-2-ylbutane-1,2,3,4-tetrol

C44H34O4 — CID 23002857

IUPAC1,1,4,4-tetranaphthalen-2-ylbutane-1,2,3,4-tetrol
SMILESOC(C(O)C(O)(c1ccc2ccccc2c1)c1ccc2ccccc2c1)C(O)(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C44H34O4/c45-41(43(47,37-21-17-29-9-1-5-13-33(29)25-37)38-22-18-30-10-2-6-14-34(30)26-38)42(46)44(48,39-23-19-31-11-3-7-15-35(31)27-39)40-24-20-32-12-4-8-16-36(32)28-40/h1-28,41-42,45-48H
InChIKeyFBHMZJDOPFLNOD-UHFFFAOYSA-N
MW626.75 g/mol
LogP8.19
Rot. Bonds7

About 1,1,4,4-tetranaphthalen-2-ylbutane-1,2,3,4-tetrol

1,1,4,4-tetranaphthalen-2-ylbutane-1,2,3,4-tetrol (PubChem CID 23002857) has the molecular formula C44H34O4 and a molecular weight of 626.75 g/mol. Its IUPAC name is 1,1,4,4-tetranaphthalen-2-ylbutane-1,2,3,4-tetrol.

Molecular Properties

Compound Name1,1,4,4-tetranaphthalen-2-ylbutane-1,2,3,4-tetrol
PubChem CID23002857
Molecular FormulaC44H34O4
Molecular Weight626.75 g/mol
Exact Mass626.25
IUPAC Name1,1,4,4-tetranaphthalen-2-ylbutane-1,2,3,4-tetrol
SMILESOC(C(O)C(O)(c1ccc2ccccc2c1)c1ccc2ccccc2c1)C(O)(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C44H34O4/c45-41(43(47,37-21-17-29-9-1-5-13-33(29)25-37)38-22-18-30-10-2-6-14-34(30)26-38)42(46)44(48,39-23-19-31-11-3-7-15-35(31)27-39)40-24-20-32-12-4-8-16-36(32)28-40/h1-28,41-42,45-48H
InChIKeyFBHMZJDOPFLNOD-UHFFFAOYSA-N
XLogP8.19
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.75
LogP ≤ 58.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

trinaphthalen-2-ylmethanol
CID 10573628
4-methyl-2-naphthalen-2-ylpentane-2,3-diol
CID 102080428
2-(trinaphthalen-2-ylmethyl)naphthalene
CID 101401266
(2S)-3-methyl-2-naphthalen-2-ylbutan-2-ol
CID 94601218
(2R)-2-hydroxy-2-naphthalen-2-ylpropanal
CID 122375981
1-naphthalen-2-yl-1-(4-trimethylsilylphenyl)ethanol
CID 56946566
bis(4-methoxyphenyl)-naphthalen-2-ylmethanol
CID 23069554
1-amino-2-naphthalen-2-ylpropan-2-ol
CID 62773964
1-(3-methoxyphenyl)-1-naphthalen-2-ylethanol
CID 62787792
2,2-difluoro-3-hydroxy-3-naphthalen-2-ylbutanoic acid
CID 62398445
2-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)naphthalene
CID 164898429
2-fluoro-2-naphthalen-2-ylpropanamide
CID 91088349

Frequently Asked Questions

What is the IUPAC name of 1,1,4,4-tetranaphthalen-2-ylbutane-1,2,3,4-tetrol?
The IUPAC name of 1,1,4,4-tetranaphthalen-2-ylbutane-1,2,3,4-tetrol (CID 23002857) is 1,1,4,4-tetranaphthalen-2-ylbutane-1,2,3,4-tetrol.
What is the SMILES notation for 1,1,4,4-tetranaphthalen-2-ylbutane-1,2,3,4-tetrol?
The canonical SMILES for 1,1,4,4-tetranaphthalen-2-ylbutane-1,2,3,4-tetrol is OC(C(O)C(O)(c1ccc2ccccc2c1)c1ccc2ccccc2c1)C(O)(c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of 1,1,4,4-tetranaphthalen-2-ylbutane-1,2,3,4-tetrol?
The InChIKey is FBHMZJDOPFLNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34O4/c45-41(43(47,37-21-17-29-9-1-5-13-33(29)25-37)38-22-18-30-10-2-6-14-34(30)26-38)42(46)44(48,39-23-19-31-11-3-7-15-35(31)27-39)40-24-20-32-12-4-8-16-36(32)28-40/h1-28,41-42,45-48H.
What are the key properties of 1,1,4,4-tetranaphthalen-2-ylbutane-1,2,3,4-tetrol?
1,1,4,4-tetranaphthalen-2-ylbutane-1,2,3,4-tetrol has a molecular weight of 626.75 g/mol, XLogP of 8.19, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4,4-tetranaphthalen-2-ylbutane-1,2,3,4-tetrol is sourced from PubChem (CID 23002857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).