trinaphthalen-2-ylmethanol

C31H22O — CID 10573628

IUPACtrinaphthalen-2-ylmethanol
SMILESOC(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C31H22O/c32-31(28-16-13-22-7-1-4-10-25(22)19-28,29-17-14-23-8-2-5-11-26(23)20-29)30-18-15-24-9-3-6-12-27(24)21-30/h1-21,32H
InChIKeyUEFPDUBYYOAUPA-UHFFFAOYSA-N
MW410.52 g/mol
LogP7.43
Rot. Bonds3

About trinaphthalen-2-ylmethanol

trinaphthalen-2-ylmethanol (PubChem CID 10573628) has the molecular formula C31H22O and a molecular weight of 410.52 g/mol. Its IUPAC name is trinaphthalen-2-ylmethanol.

Molecular Properties

Compound Nametrinaphthalen-2-ylmethanol
PubChem CID10573628
Molecular FormulaC31H22O
Molecular Weight410.52 g/mol
Exact Mass410.17
IUPAC Nametrinaphthalen-2-ylmethanol
SMILESOC(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C31H22O/c32-31(28-16-13-22-7-1-4-10-25(22)19-28,29-17-14-23-8-2-5-11-26(23)20-29)30-18-15-24-9-3-6-12-27(24)21-30/h1-21,32H
InChIKeyUEFPDUBYYOAUPA-UHFFFAOYSA-N
XLogP7.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

bis(4-methoxyphenyl)-naphthalen-2-ylmethanol
CID 23069554
2-(trinaphthalen-2-ylmethyl)naphthalene
CID 101401266
1,1,4,4-tetranaphthalen-2-ylbutane-1,2,3,4-tetrol
CID 23002857
4-(dimethylamino)-2-naphthalen-2-ylbutan-2-ol
CID 85377854
(2R)-2-hydroxy-2-naphthalen-2-ylpropanal
CID 122375981
(2S)-3-methyl-2-naphthalen-2-ylbutan-2-ol
CID 94601218
1-amino-2-naphthalen-2-ylpropan-2-ol
CID 62773964
2-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)naphthalene
CID 164898429
6,6,6-trifluoro-2-naphthalen-2-ylhexan-2-ol
CID 116536006
4-methyl-2-naphthalen-2-ylpentane-2,3-diol
CID 102080428
3-amino-3-naphthalen-2-ylbutan-1-ol
CID 65239621
1-naphthalen-2-yl-1-(4-trimethylsilylphenyl)ethanol
CID 56946566

Frequently Asked Questions

What is the IUPAC name of trinaphthalen-2-ylmethanol?
The IUPAC name of trinaphthalen-2-ylmethanol (CID 10573628) is trinaphthalen-2-ylmethanol.
What is the SMILES notation for trinaphthalen-2-ylmethanol?
The canonical SMILES for trinaphthalen-2-ylmethanol is OC(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of trinaphthalen-2-ylmethanol?
The InChIKey is UEFPDUBYYOAUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22O/c32-31(28-16-13-22-7-1-4-10-25(22)19-28,29-17-14-23-8-2-5-11-26(23)20-29)30-18-15-24-9-3-6-12-27(24)21-30/h1-21,32H.
What are the key properties of trinaphthalen-2-ylmethanol?
trinaphthalen-2-ylmethanol has a molecular weight of 410.52 g/mol, XLogP of 7.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trinaphthalen-2-ylmethanol is sourced from PubChem (CID 10573628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).