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

C44H34O4 — CID 23002853

IUPAC1,1,4,4-tetranaphthalen-1-ylbutane-1,2,3,4-tetrol
SMILESOC(C(O)C(O)(c1cccc2ccccc12)c1cccc2ccccc12)C(O)(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C44H34O4/c45-41(43(47,37-25-9-17-29-13-1-5-21-33(29)37)38-26-10-18-30-14-2-6-22-34(30)38)42(46)44(48,39-27-11-19-31-15-3-7-23-35(31)39)40-28-12-20-32-16-4-8-24-36(32)40/h1-28,41-42,45-48H
InChIKeyHIVAQYJBAZFHLL-UHFFFAOYSA-N
MW626.75 g/mol
LogP8.19
Rot. Bonds7

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

1,1,4,4-tetranaphthalen-1-ylbutane-1,2,3,4-tetrol (PubChem CID 23002853) has the molecular formula C44H34O4 and a molecular weight of 626.75 g/mol. Its IUPAC name is 1,1,4,4-tetranaphthalen-1-ylbutane-1,2,3,4-tetrol.

Molecular Properties

Compound Name1,1,4,4-tetranaphthalen-1-ylbutane-1,2,3,4-tetrol
PubChem CID23002853
Molecular FormulaC44H34O4
Molecular Weight626.75 g/mol
Exact Mass626.25
IUPAC Name1,1,4,4-tetranaphthalen-1-ylbutane-1,2,3,4-tetrol
SMILESOC(C(O)C(O)(c1cccc2ccccc12)c1cccc2ccccc12)C(O)(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C44H34O4/c45-41(43(47,37-25-9-17-29-13-1-5-21-33(29)37)38-26-10-18-30-14-2-6-22-34(30)38)42(46)44(48,39-27-11-19-31-15-3-7-23-35(31)39)40-28-12-20-32-16-4-8-24-36(32)40/h1-28,41-42,45-48H
InChIKeyHIVAQYJBAZFHLL-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

2-fluoro-1,1,2-trinaphthalen-1-ylethanol
CID 102110892
3-methyl-2-naphthalen-1-ylbutan-2-ol
CID 11830817
2,3-dimethyl-3-naphthalen-1-ylbutan-2-ol
CID 140553457
1-(trichloromethyl)naphthalene
CID 12791328
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516
4-naphthalen-1-ylheptan-4-ol
CID 114866255
2-hydroxy-2-naphthalen-1-ylpropanenitrile
CID 102137680
2,2-difluoro-2-naphthalen-1-ylethanol
CID 116841204
2-methyl-5-naphthalen-1-ylhex-3-yne-2,5-diol
CID 3762729
3-hydroxy-3-naphthalen-1-ylbutanoic acid
CID 598604
1-(methylamino)-2-naphthalen-1-ylpropan-2-ol
CID 62774360
(5S)-2-methyl-5-naphthalen-1-ylhex-3-yne-2,5-diol
CID 909128

Frequently Asked Questions

What is the IUPAC name of 1,1,4,4-tetranaphthalen-1-ylbutane-1,2,3,4-tetrol?
The IUPAC name of 1,1,4,4-tetranaphthalen-1-ylbutane-1,2,3,4-tetrol (CID 23002853) is 1,1,4,4-tetranaphthalen-1-ylbutane-1,2,3,4-tetrol.
What is the SMILES notation for 1,1,4,4-tetranaphthalen-1-ylbutane-1,2,3,4-tetrol?
The canonical SMILES for 1,1,4,4-tetranaphthalen-1-ylbutane-1,2,3,4-tetrol is OC(C(O)C(O)(c1cccc2ccccc12)c1cccc2ccccc12)C(O)(c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of 1,1,4,4-tetranaphthalen-1-ylbutane-1,2,3,4-tetrol?
The InChIKey is HIVAQYJBAZFHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34O4/c45-41(43(47,37-25-9-17-29-13-1-5-21-33(29)37)38-26-10-18-30-14-2-6-22-34(30)38)42(46)44(48,39-27-11-19-31-15-3-7-23-35(31)39)40-28-12-20-32-16-4-8-24-36(32)40/h1-28,41-42,45-48H.
What are the key properties of 1,1,4,4-tetranaphthalen-1-ylbutane-1,2,3,4-tetrol?
1,1,4,4-tetranaphthalen-1-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-1-ylbutane-1,2,3,4-tetrol is sourced from PubChem (CID 23002853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).