2,6-diphenyl-4-(2,4,6-triphenyl-4H-pyridin-1-yl)phenol

C41H31NO — CID 101110915

IUPAC2,6-diphenyl-4-(2,4,6-triphenyl-4H-pyridin-1-yl)phenol
SMILESOc1c(-c2ccccc2)cc(N2C(c3ccccc3)=CC(c3ccccc3)C=C2c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C41H31NO/c43-41-37(31-18-8-2-9-19-31)28-36(29-38(41)32-20-10-3-11-21-32)42-39(33-22-12-4-13-23-33)26-35(30-16-6-1-7-17-30)27-40(42)34-24-14-5-15-25-34/h1-29,35,43H
InChIKeyGCPXCRDMUGAELU-UHFFFAOYSA-N
MW553.71 g/mol
LogP10.41
Rot. Bonds6

About 2,6-diphenyl-4-(2,4,6-triphenyl-4H-pyridin-1-yl)phenol

2,6-diphenyl-4-(2,4,6-triphenyl-4H-pyridin-1-yl)phenol (PubChem CID 101110915) has the molecular formula C41H31NO and a molecular weight of 553.71 g/mol. Its IUPAC name is 2,6-diphenyl-4-(2,4,6-triphenyl-4H-pyridin-1-yl)phenol.

Molecular Properties

Compound Name2,6-diphenyl-4-(2,4,6-triphenyl-4H-pyridin-1-yl)phenol
PubChem CID101110915
Molecular FormulaC41H31NO
Molecular Weight553.71 g/mol
Exact Mass553.24
IUPAC Name2,6-diphenyl-4-(2,4,6-triphenyl-4H-pyridin-1-yl)phenol
SMILESOc1c(-c2ccccc2)cc(N2C(c3ccccc3)=CC(c3ccccc3)C=C2c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C41H31NO/c43-41-37(31-18-8-2-9-19-31)28-36(29-38(41)32-20-10-3-11-21-32)42-39(33-22-12-4-13-23-33)26-35(30-16-6-1-7-17-30)27-40(42)34-24-14-5-15-25-34/h1-29,35,43H
InChIKeyGCPXCRDMUGAELU-UHFFFAOYSA-N
XLogP10.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.71
LogP ≤ 510.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-4-(2,4,6-triphenyl-4H-pyridin-1-yl)phenol?
The IUPAC name of 2,6-diphenyl-4-(2,4,6-triphenyl-4H-pyridin-1-yl)phenol (CID 101110915) is 2,6-diphenyl-4-(2,4,6-triphenyl-4H-pyridin-1-yl)phenol.
What is the SMILES notation for 2,6-diphenyl-4-(2,4,6-triphenyl-4H-pyridin-1-yl)phenol?
The canonical SMILES for 2,6-diphenyl-4-(2,4,6-triphenyl-4H-pyridin-1-yl)phenol is Oc1c(-c2ccccc2)cc(N2C(c3ccccc3)=CC(c3ccccc3)C=C2c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 2,6-diphenyl-4-(2,4,6-triphenyl-4H-pyridin-1-yl)phenol?
The InChIKey is GCPXCRDMUGAELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31NO/c43-41-37(31-18-8-2-9-19-31)28-36(29-38(41)32-20-10-3-11-21-32)42-39(33-22-12-4-13-23-33)26-35(30-16-6-1-7-17-30)27-40(42)34-24-14-5-15-25-34/h1-29,35,43H.
What are the key properties of 2,6-diphenyl-4-(2,4,6-triphenyl-4H-pyridin-1-yl)phenol?
2,6-diphenyl-4-(2,4,6-triphenyl-4H-pyridin-1-yl)phenol has a molecular weight of 553.71 g/mol, XLogP of 10.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-4-(2,4,6-triphenyl-4H-pyridin-1-yl)phenol is sourced from PubChem (CID 101110915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).