1,1-diphenylcyclotetradecane

C26H36 — CID 175822005

IUPAC1,1-diphenylcyclotetradecane
SMILESc1ccc(C2(c3ccccc3)CCCCCCCCCCCCC2)cc1
InChIInChI=1S/C26H36/c1-2-4-6-8-16-22-26(23-17-9-7-5-3-1,24-18-12-10-13-19-24)25-20-14-11-15-21-25/h10-15,18-21H,1-9,16-17,22-23H2
InChIKeyDEFAJYWYIMLQIZ-UHFFFAOYSA-N
MW348.57 g/mol
LogP8.06
Rot. Bonds2

About 1,1-diphenylcyclotetradecane

1,1-diphenylcyclotetradecane (PubChem CID 175822005) has the molecular formula C26H36 and a molecular weight of 348.57 g/mol. Its IUPAC name is 1,1-diphenylcyclotetradecane.

Molecular Properties

Compound Name1,1-diphenylcyclotetradecane
PubChem CID175822005
Molecular FormulaC26H36
Molecular Weight348.57 g/mol
Exact Mass348.28
IUPAC Name1,1-diphenylcyclotetradecane
SMILESc1ccc(C2(c3ccccc3)CCCCCCCCCCCCC2)cc1
InChIInChI=1S/C26H36/c1-2-4-6-8-16-22-26(23-17-9-7-5-3-1,24-18-12-10-13-19-24)25-20-14-11-15-21-25/h10-15,18-21H,1-9,16-17,22-23H2
InChIKeyDEFAJYWYIMLQIZ-UHFFFAOYSA-N
XLogP8.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.57
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylcyclotetradecane?
The IUPAC name of 1,1-diphenylcyclotetradecane (CID 175822005) is 1,1-diphenylcyclotetradecane.
What is the SMILES notation for 1,1-diphenylcyclotetradecane?
The canonical SMILES for 1,1-diphenylcyclotetradecane is c1ccc(C2(c3ccccc3)CCCCCCCCCCCCC2)cc1.
What is the InChIKey of 1,1-diphenylcyclotetradecane?
The InChIKey is DEFAJYWYIMLQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36/c1-2-4-6-8-16-22-26(23-17-9-7-5-3-1,24-18-12-10-13-19-24)25-20-14-11-15-21-25/h10-15,18-21H,1-9,16-17,22-23H2.
What are the key properties of 1,1-diphenylcyclotetradecane?
1,1-diphenylcyclotetradecane has a molecular weight of 348.57 g/mol, XLogP of 8.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylcyclotetradecane is sourced from PubChem (CID 175822005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).