tri(azulen-2-yl)methanol

C31H22O — CID 101223557

IUPACtri(azulen-2-yl)methanol
SMILESOC(c1cc2cccccc-2c1)(c1cc2cccccc-2c1)c1cc2cccccc-2c1
InChIInChI=1S/C31H22O/c32-31(28-16-22-10-4-1-5-11-23(22)17-28,29-18-24-12-6-2-7-13-25(24)19-29)30-20-26-14-8-3-9-15-27(26)21-30/h1-21,32H
InChIKeyDSYZGRXDXWGOMQ-UHFFFAOYSA-N
MW410.52 g/mol
LogP7.29
Rot. Bonds3

About tri(azulen-2-yl)methanol

tri(azulen-2-yl)methanol (PubChem CID 101223557) has the molecular formula C31H22O and a molecular weight of 410.52 g/mol. Its IUPAC name is tri(azulen-2-yl)methanol.

Molecular Properties

Compound Nametri(azulen-2-yl)methanol
PubChem CID101223557
Molecular FormulaC31H22O
Molecular Weight410.52 g/mol
Exact Mass410.17
IUPAC Nametri(azulen-2-yl)methanol
SMILESOC(c1cc2cccccc-2c1)(c1cc2cccccc-2c1)c1cc2cccccc-2c1
InChIInChI=1S/C31H22O/c32-31(28-16-22-10-4-1-5-11-23(22)17-28,29-18-24-12-6-2-7-13-25(24)19-29)30-20-26-14-8-3-9-15-27(26)21-30/h1-21,32H
InChIKeyDSYZGRXDXWGOMQ-UHFFFAOYSA-N
XLogP7.29
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 ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tri(azulen-2-yl)methanol?
The IUPAC name of tri(azulen-2-yl)methanol (CID 101223557) is tri(azulen-2-yl)methanol.
What is the SMILES notation for tri(azulen-2-yl)methanol?
The canonical SMILES for tri(azulen-2-yl)methanol is OC(c1cc2cccccc-2c1)(c1cc2cccccc-2c1)c1cc2cccccc-2c1.
What is the InChIKey of tri(azulen-2-yl)methanol?
The InChIKey is DSYZGRXDXWGOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22O/c32-31(28-16-22-10-4-1-5-11-23(22)17-28,29-18-24-12-6-2-7-13-25(24)19-29)30-20-26-14-8-3-9-15-27(26)21-30/h1-21,32H.
What are the key properties of tri(azulen-2-yl)methanol?
tri(azulen-2-yl)methanol has a molecular weight of 410.52 g/mol, XLogP of 7.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tri(azulen-2-yl)methanol is sourced from PubChem (CID 101223557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).