3-methyl-1,3,5-triphenylbicyclo[3.3.1]nonane

C28H30 — CID 142961380

IUPAC3-methyl-1,3,5-triphenylbicyclo[3.3.1]nonane
SMILESCC1(c2ccccc2)CC2(c3ccccc3)CCCC(c3ccccc3)(C1)C2
InChIInChI=1S/C28H30/c1-26(23-12-5-2-6-13-23)20-27(24-14-7-3-8-15-24)18-11-19-28(21-26,22-27)25-16-9-4-10-17-25/h2-10,12-17H,11,18-22H2,1H3
InChIKeyXQOJGLIUHSJZBR-UHFFFAOYSA-N
MW366.55 g/mol
LogP7.19
Rot. Bonds3

About 3-methyl-1,3,5-triphenylbicyclo[3.3.1]nonane

3-methyl-1,3,5-triphenylbicyclo[3.3.1]nonane (PubChem CID 142961380) has the molecular formula C28H30 and a molecular weight of 366.55 g/mol. Its IUPAC name is 3-methyl-1,3,5-triphenylbicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3-methyl-1,3,5-triphenylbicyclo[3.3.1]nonane
PubChem CID142961380
Molecular FormulaC28H30
Molecular Weight366.55 g/mol
Exact Mass366.23
IUPAC Name3-methyl-1,3,5-triphenylbicyclo[3.3.1]nonane
SMILESCC1(c2ccccc2)CC2(c3ccccc3)CCCC(c3ccccc3)(C1)C2
InChIInChI=1S/C28H30/c1-26(23-12-5-2-6-13-23)20-27(24-14-7-3-8-15-24)18-11-19-28(21-26,22-27)25-16-9-4-10-17-25/h2-10,12-17H,11,18-22H2,1H3
InChIKeyXQOJGLIUHSJZBR-UHFFFAOYSA-N
XLogP7.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,3,5-triphenylbicyclo[3.3.1]nonane?
The IUPAC name of 3-methyl-1,3,5-triphenylbicyclo[3.3.1]nonane (CID 142961380) is 3-methyl-1,3,5-triphenylbicyclo[3.3.1]nonane.
What is the SMILES notation for 3-methyl-1,3,5-triphenylbicyclo[3.3.1]nonane?
The canonical SMILES for 3-methyl-1,3,5-triphenylbicyclo[3.3.1]nonane is CC1(c2ccccc2)CC2(c3ccccc3)CCCC(c3ccccc3)(C1)C2.
What is the InChIKey of 3-methyl-1,3,5-triphenylbicyclo[3.3.1]nonane?
The InChIKey is XQOJGLIUHSJZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30/c1-26(23-12-5-2-6-13-23)20-27(24-14-7-3-8-15-24)18-11-19-28(21-26,22-27)25-16-9-4-10-17-25/h2-10,12-17H,11,18-22H2,1H3.
What are the key properties of 3-methyl-1,3,5-triphenylbicyclo[3.3.1]nonane?
3-methyl-1,3,5-triphenylbicyclo[3.3.1]nonane has a molecular weight of 366.55 g/mol, XLogP of 7.19, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3,5-triphenylbicyclo[3.3.1]nonane is sourced from PubChem (CID 142961380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).