(2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-2-yl)methanol

C26H27N3O — CID 142741080

IUPAC(2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-2-yl)methanol
SMILESOCC1(c2ccccc2)N2CC3CN(C2c2ccccc2)C(c2ccccc2)N1C3
InChIInChI=1S/C26H27N3O/c30-19-26(23-14-8-3-9-15-23)28-17-20-16-27(24(28)21-10-4-1-5-11-21)25(29(26)18-20)22-12-6-2-7-13-22/h1-15,20,24-25,30H,16-19H2
InChIKeyGQSRNBRQFIGYDG-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.79
Rot. Bonds4

About (2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-2-yl)methanol

(2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-2-yl)methanol (PubChem CID 142741080) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is (2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-2-yl)methanol.

Molecular Properties

Compound Name(2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-2-yl)methanol
PubChem CID142741080
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC Name(2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-2-yl)methanol
SMILESOCC1(c2ccccc2)N2CC3CN(C2c2ccccc2)C(c2ccccc2)N1C3
InChIInChI=1S/C26H27N3O/c30-19-26(23-14-8-3-9-15-23)28-17-20-16-27(24(28)21-10-4-1-5-11-21)25(29(26)18-20)22-12-6-2-7-13-22/h1-15,20,24-25,30H,16-19H2
InChIKeyGQSRNBRQFIGYDG-UHFFFAOYSA-N
XLogP3.79
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-2-yl)methanol?
The IUPAC name of (2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-2-yl)methanol (CID 142741080) is (2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-2-yl)methanol.
What is the SMILES notation for (2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-2-yl)methanol?
The canonical SMILES for (2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-2-yl)methanol is OCC1(c2ccccc2)N2CC3CN(C2c2ccccc2)C(c2ccccc2)N1C3.
What is the InChIKey of (2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-2-yl)methanol?
The InChIKey is GQSRNBRQFIGYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c30-19-26(23-14-8-3-9-15-23)28-17-20-16-27(24(28)21-10-4-1-5-11-21)25(29(26)18-20)22-12-6-2-7-13-22/h1-15,20,24-25,30H,16-19H2.
What are the key properties of (2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-2-yl)methanol?
(2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-2-yl)methanol has a molecular weight of 397.52 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-2-yl)methanol is sourced from PubChem (CID 142741080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).