1-benzhydryladamantane

C23H26 — CID 10891996

IUPAC1-benzhydryladamantane
SMILESc1ccc(C(c2ccccc2)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H26/c1-3-7-20(8-4-1)22(21-9-5-2-6-10-21)23-14-17-11-18(15-23)13-19(12-17)16-23/h1-10,17-19,22H,11-16H2
InChIKeyCMIJLZSPHMGAPQ-UHFFFAOYSA-N
MW302.46 g/mol
LogP6.03
Rot. Bonds3

About 1-benzhydryladamantane

1-benzhydryladamantane (PubChem CID 10891996) has the molecular formula C23H26 and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-benzhydryladamantane.

Molecular Properties

Compound Name1-benzhydryladamantane
PubChem CID10891996
Molecular FormulaC23H26
Molecular Weight302.46 g/mol
Exact Mass302.20
IUPAC Name1-benzhydryladamantane
SMILESc1ccc(C(c2ccccc2)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H26/c1-3-7-20(8-4-1)22(21-9-5-2-6-10-21)23-14-17-11-18(15-23)13-19(12-17)16-23/h1-10,17-19,22H,11-16H2
InChIKeyCMIJLZSPHMGAPQ-UHFFFAOYSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-benzhydryladamantane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryladamantane?
The IUPAC name of 1-benzhydryladamantane (CID 10891996) is 1-benzhydryladamantane.
What is the SMILES notation for 1-benzhydryladamantane?
The canonical SMILES for 1-benzhydryladamantane is c1ccc(C(c2ccccc2)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 1-benzhydryladamantane?
The InChIKey is CMIJLZSPHMGAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26/c1-3-7-20(8-4-1)22(21-9-5-2-6-10-21)23-14-17-11-18(15-23)13-19(12-17)16-23/h1-10,17-19,22H,11-16H2.
What are the key properties of 1-benzhydryladamantane?
1-benzhydryladamantane has a molecular weight of 302.46 g/mol, XLogP of 6.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryladamantane is sourced from PubChem (CID 10891996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).