(5,7-diphenyl-2-adamantyl)-diphenylmethanol

C35H34O — CID 10389992

IUPAC(5,7-diphenyl-2-adamantyl)-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)C1C2CC3(c4ccccc4)CC1CC(c1ccccc1)(C2)C3
InChIInChI=1S/C35H34O/c36-35(30-17-9-3-10-18-30,31-19-11-4-12-20-31)32-26-21-33(28-13-5-1-6-14-28)22-27(32)24-34(23-26,25-33)29-15-7-2-8-16-29/h1-20,26-27,32,36H,21-25H2
InChIKeyDGSOACVLZVBCKQ-UHFFFAOYSA-N
MW470.66 g/mol
LogP7.64
Rot. Bonds5

About (5,7-diphenyl-2-adamantyl)-diphenylmethanol

(5,7-diphenyl-2-adamantyl)-diphenylmethanol (PubChem CID 10389992) has the molecular formula C35H34O and a molecular weight of 470.66 g/mol. Its IUPAC name is (5,7-diphenyl-2-adamantyl)-diphenylmethanol.

Molecular Properties

Compound Name(5,7-diphenyl-2-adamantyl)-diphenylmethanol
PubChem CID10389992
Molecular FormulaC35H34O
Molecular Weight470.66 g/mol
Exact Mass470.26
IUPAC Name(5,7-diphenyl-2-adamantyl)-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)C1C2CC3(c4ccccc4)CC1CC(c1ccccc1)(C2)C3
InChIInChI=1S/C35H34O/c36-35(30-17-9-3-10-18-30,31-19-11-4-12-20-31)32-26-21-33(28-13-5-1-6-14-28)22-27(32)24-34(23-26,25-33)29-15-7-2-8-16-29/h1-20,26-27,32,36H,21-25H2
InChIKeyDGSOACVLZVBCKQ-UHFFFAOYSA-N
XLogP7.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.66
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5,7-diphenyl-2-adamantyl)-diphenylmethanol?
The IUPAC name of (5,7-diphenyl-2-adamantyl)-diphenylmethanol (CID 10389992) is (5,7-diphenyl-2-adamantyl)-diphenylmethanol.
What is the SMILES notation for (5,7-diphenyl-2-adamantyl)-diphenylmethanol?
The canonical SMILES for (5,7-diphenyl-2-adamantyl)-diphenylmethanol is OC(c1ccccc1)(c1ccccc1)C1C2CC3(c4ccccc4)CC1CC(c1ccccc1)(C2)C3.
What is the InChIKey of (5,7-diphenyl-2-adamantyl)-diphenylmethanol?
The InChIKey is DGSOACVLZVBCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34O/c36-35(30-17-9-3-10-18-30,31-19-11-4-12-20-31)32-26-21-33(28-13-5-1-6-14-28)22-27(32)24-34(23-26,25-33)29-15-7-2-8-16-29/h1-20,26-27,32,36H,21-25H2.
What are the key properties of (5,7-diphenyl-2-adamantyl)-diphenylmethanol?
(5,7-diphenyl-2-adamantyl)-diphenylmethanol has a molecular weight of 470.66 g/mol, XLogP of 7.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-diphenyl-2-adamantyl)-diphenylmethanol is sourced from PubChem (CID 10389992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).