(3-tert-butyl-5-phenyl-1-pyridin-2-ylpyrrol-2-yl)-phenylmethanone

C26H24N2O — CID 101007123

IUPAC(3-tert-butyl-5-phenyl-1-pyridin-2-ylpyrrol-2-yl)-phenylmethanone
SMILESCC(C)(C)c1cc(-c2ccccc2)n(-c2ccccn2)c1C(=O)c1ccccc1
InChIInChI=1S/C26H24N2O/c1-26(2,3)21-18-22(19-12-6-4-7-13-19)28(23-16-10-11-17-27-23)24(21)25(29)20-14-8-5-9-15-20/h4-18H,1-3H3
InChIKeySNFYXYODWINRGI-UHFFFAOYSA-N
MW380.49 g/mol
LogP6.07
Rot. Bonds4

About (3-tert-butyl-5-phenyl-1-pyridin-2-ylpyrrol-2-yl)-phenylmethanone

(3-tert-butyl-5-phenyl-1-pyridin-2-ylpyrrol-2-yl)-phenylmethanone (PubChem CID 101007123) has the molecular formula C26H24N2O and a molecular weight of 380.49 g/mol. Its IUPAC name is (3-tert-butyl-5-phenyl-1-pyridin-2-ylpyrrol-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-tert-butyl-5-phenyl-1-pyridin-2-ylpyrrol-2-yl)-phenylmethanone
PubChem CID101007123
Molecular FormulaC26H24N2O
Molecular Weight380.49 g/mol
Exact Mass380.19
IUPAC Name(3-tert-butyl-5-phenyl-1-pyridin-2-ylpyrrol-2-yl)-phenylmethanone
SMILESCC(C)(C)c1cc(-c2ccccc2)n(-c2ccccn2)c1C(=O)c1ccccc1
InChIInChI=1S/C26H24N2O/c1-26(2,3)21-18-22(19-12-6-4-7-13-19)28(23-16-10-11-17-27-23)24(21)25(29)20-14-8-5-9-15-20/h4-18H,1-3H3
InChIKeySNFYXYODWINRGI-UHFFFAOYSA-N
XLogP6.07
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-5-phenyl-1-pyridin-2-ylpyrrol-2-yl)-phenylmethanone?
The IUPAC name of (3-tert-butyl-5-phenyl-1-pyridin-2-ylpyrrol-2-yl)-phenylmethanone (CID 101007123) is (3-tert-butyl-5-phenyl-1-pyridin-2-ylpyrrol-2-yl)-phenylmethanone.
What is the SMILES notation for (3-tert-butyl-5-phenyl-1-pyridin-2-ylpyrrol-2-yl)-phenylmethanone?
The canonical SMILES for (3-tert-butyl-5-phenyl-1-pyridin-2-ylpyrrol-2-yl)-phenylmethanone is CC(C)(C)c1cc(-c2ccccc2)n(-c2ccccn2)c1C(=O)c1ccccc1.
What is the InChIKey of (3-tert-butyl-5-phenyl-1-pyridin-2-ylpyrrol-2-yl)-phenylmethanone?
The InChIKey is SNFYXYODWINRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O/c1-26(2,3)21-18-22(19-12-6-4-7-13-19)28(23-16-10-11-17-27-23)24(21)25(29)20-14-8-5-9-15-20/h4-18H,1-3H3.
What are the key properties of (3-tert-butyl-5-phenyl-1-pyridin-2-ylpyrrol-2-yl)-phenylmethanone?
(3-tert-butyl-5-phenyl-1-pyridin-2-ylpyrrol-2-yl)-phenylmethanone has a molecular weight of 380.49 g/mol, XLogP of 6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-5-phenyl-1-pyridin-2-ylpyrrol-2-yl)-phenylmethanone is sourced from PubChem (CID 101007123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).