1,3,5,7-tetraphenyladamantane

C34H32 — CID 11553988

IUPAC1,3,5,7-tetraphenyladamantane
SMILESc1ccc(C23CC4(c5ccccc5)CC(c5ccccc5)(C2)CC(c2ccccc2)(C3)C4)cc1
InChIInChI=1S/C34H32/c1-5-13-27(14-6-1)31-21-32(28-15-7-2-8-16-28)24-33(22-31,29-17-9-3-10-18-29)26-34(23-31,25-32)30-19-11-4-12-20-30/h1-20H,21-26H2
InChIKeyYDUVZTACEKAXTE-UHFFFAOYSA-N
MW440.63 g/mol
LogP8.12
Rot. Bonds4

About 1,3,5,7-tetraphenyladamantane

1,3,5,7-tetraphenyladamantane (PubChem CID 11553988) has the molecular formula C34H32 and a molecular weight of 440.63 g/mol. Its IUPAC name is 1,3,5,7-tetraphenyladamantane.

Molecular Properties

Compound Name1,3,5,7-tetraphenyladamantane
PubChem CID11553988
Molecular FormulaC34H32
Molecular Weight440.63 g/mol
Exact Mass440.25
IUPAC Name1,3,5,7-tetraphenyladamantane
SMILESc1ccc(C23CC4(c5ccccc5)CC(c5ccccc5)(C2)CC(c2ccccc2)(C3)C4)cc1
InChIInChI=1S/C34H32/c1-5-13-27(14-6-1)31-21-32(28-15-7-2-8-16-28)24-33(22-31,29-17-9-3-10-18-29)26-34(23-31,25-32)30-19-11-4-12-20-30/h1-20H,21-26H2
InChIKeyYDUVZTACEKAXTE-UHFFFAOYSA-N
XLogP8.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.63
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3,5,7-tetraphenyladamantane 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 1,3,5,7-tetraphenyladamantane?
The IUPAC name of 1,3,5,7-tetraphenyladamantane (CID 11553988) is 1,3,5,7-tetraphenyladamantane.
What is the SMILES notation for 1,3,5,7-tetraphenyladamantane?
The canonical SMILES for 1,3,5,7-tetraphenyladamantane is c1ccc(C23CC4(c5ccccc5)CC(c5ccccc5)(C2)CC(c2ccccc2)(C3)C4)cc1.
What is the InChIKey of 1,3,5,7-tetraphenyladamantane?
The InChIKey is YDUVZTACEKAXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32/c1-5-13-27(14-6-1)31-21-32(28-15-7-2-8-16-28)24-33(22-31,29-17-9-3-10-18-29)26-34(23-31,25-32)30-19-11-4-12-20-30/h1-20H,21-26H2.
What are the key properties of 1,3,5,7-tetraphenyladamantane?
1,3,5,7-tetraphenyladamantane has a molecular weight of 440.63 g/mol, XLogP of 8.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7-tetraphenyladamantane is sourced from PubChem (CID 11553988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).