1,2,2,3-tetraphenyladamantane

C34H32 — CID 22140534

IUPAC1,2,2,3-tetraphenyladamantane
SMILESc1ccc(C23CC4CC(C2)CC(c2ccccc2)(C4)C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H32/c1-5-13-28(14-6-1)32-22-26-21-27(23-32)25-33(24-26,29-15-7-2-8-16-29)34(32,30-17-9-3-10-18-30)31-19-11-4-12-20-31/h1-20,26-27H,21-25H2
InChIKeyNCCRWCDFEYKBJF-UHFFFAOYSA-N
MW440.63 g/mol
LogP8.07
Rot. Bonds4

About 1,2,2,3-tetraphenyladamantane

1,2,2,3-tetraphenyladamantane (PubChem CID 22140534) has the molecular formula C34H32 and a molecular weight of 440.63 g/mol. Its IUPAC name is 1,2,2,3-tetraphenyladamantane.

Molecular Properties

Compound Name1,2,2,3-tetraphenyladamantane
PubChem CID22140534
Molecular FormulaC34H32
Molecular Weight440.63 g/mol
Exact Mass440.25
IUPAC Name1,2,2,3-tetraphenyladamantane
SMILESc1ccc(C23CC4CC(C2)CC(c2ccccc2)(C4)C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H32/c1-5-13-28(14-6-1)32-22-26-21-27(23-32)25-33(24-26,29-15-7-2-8-16-29)34(32,30-17-9-3-10-18-30)31-19-11-4-12-20-31/h1-20,26-27H,21-25H2
InChIKeyNCCRWCDFEYKBJF-UHFFFAOYSA-N
XLogP8.07
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 ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3-tetraphenyladamantane?
The IUPAC name of 1,2,2,3-tetraphenyladamantane (CID 22140534) is 1,2,2,3-tetraphenyladamantane.
What is the SMILES notation for 1,2,2,3-tetraphenyladamantane?
The canonical SMILES for 1,2,2,3-tetraphenyladamantane is c1ccc(C23CC4CC(C2)CC(c2ccccc2)(C4)C3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,2,2,3-tetraphenyladamantane?
The InChIKey is NCCRWCDFEYKBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32/c1-5-13-28(14-6-1)32-22-26-21-27(23-32)25-33(24-26,29-15-7-2-8-16-29)34(32,30-17-9-3-10-18-30)31-19-11-4-12-20-31/h1-20,26-27H,21-25H2.
What are the key properties of 1,2,2,3-tetraphenyladamantane?
1,2,2,3-tetraphenyladamantane has a molecular weight of 440.63 g/mol, XLogP of 8.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3-tetraphenyladamantane is sourced from PubChem (CID 22140534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).