1,2-diphenyladamantane

C22H24 — CID 91565758

IUPAC1,2-diphenyladamantane
SMILESc1ccc(C2C3CC4CC(C3)CC2(c2ccccc2)C4)cc1
InChIInChI=1S/C22H24/c1-3-7-18(8-4-1)21-19-12-16-11-17(13-19)15-22(21,14-16)20-9-5-2-6-10-20/h1-10,16-17,19,21H,11-15H2
InChIKeyRIVSTXVFMIBRJD-UHFFFAOYSA-N
MW288.43 g/mol
LogP5.55
Rot. Bonds2

About 1,2-diphenyladamantane

1,2-diphenyladamantane (PubChem CID 91565758) has the molecular formula C22H24 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1,2-diphenyladamantane.

Molecular Properties

Compound Name1,2-diphenyladamantane
PubChem CID91565758
Molecular FormulaC22H24
Molecular Weight288.43 g/mol
Exact Mass288.19
IUPAC Name1,2-diphenyladamantane
SMILESc1ccc(C2C3CC4CC(C3)CC2(c2ccccc2)C4)cc1
InChIInChI=1S/C22H24/c1-3-7-18(8-4-1)21-19-12-16-11-17(13-19)15-22(21,14-16)20-9-5-2-6-10-20/h1-10,16-17,19,21H,11-15H2
InChIKeyRIVSTXVFMIBRJD-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyladamantane?
The IUPAC name of 1,2-diphenyladamantane (CID 91565758) is 1,2-diphenyladamantane.
What is the SMILES notation for 1,2-diphenyladamantane?
The canonical SMILES for 1,2-diphenyladamantane is c1ccc(C2C3CC4CC(C3)CC2(c2ccccc2)C4)cc1.
What is the InChIKey of 1,2-diphenyladamantane?
The InChIKey is RIVSTXVFMIBRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24/c1-3-7-18(8-4-1)21-19-12-16-11-17(13-19)15-22(21,14-16)20-9-5-2-6-10-20/h1-10,16-17,19,21H,11-15H2.
What are the key properties of 1,2-diphenyladamantane?
1,2-diphenyladamantane has a molecular weight of 288.43 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyladamantane is sourced from PubChem (CID 91565758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).