(5-benzoyl-3-phenylpyrrolo[1,2-c]pyrimidin-7-yl)-(4-phenylphenyl)methanone

C33H22N2O2 — CID 4662902

IUPAC(5-benzoyl-3-phenylpyrrolo[1,2-c]pyrimidin-7-yl)-(4-phenylphenyl)methanone
SMILESO=C(c1ccccc1)c1cc(C(=O)c2ccc(-c3ccccc3)cc2)n2cnc(-c3ccccc3)cc12
InChIInChI=1S/C33H22N2O2/c36-32(26-14-8-3-9-15-26)28-20-31(35-22-34-29(21-30(28)35)25-12-6-2-7-13-25)33(37)27-18-16-24(17-19-27)23-10-4-1-5-11-23/h1-22H
InChIKeySTAQKWPQOFPOAY-UHFFFAOYSA-N
MW478.55 g/mol
LogP7.13
Rot. Bonds6

About (5-benzoyl-3-phenylpyrrolo[1,2-c]pyrimidin-7-yl)-(4-phenylphenyl)methanone

(5-benzoyl-3-phenylpyrrolo[1,2-c]pyrimidin-7-yl)-(4-phenylphenyl)methanone (PubChem CID 4662902) has the molecular formula C33H22N2O2 and a molecular weight of 478.55 g/mol. Its IUPAC name is (5-benzoyl-3-phenylpyrrolo[1,2-c]pyrimidin-7-yl)-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name(5-benzoyl-3-phenylpyrrolo[1,2-c]pyrimidin-7-yl)-(4-phenylphenyl)methanone
PubChem CID4662902
Molecular FormulaC33H22N2O2
Molecular Weight478.55 g/mol
Exact Mass478.17
IUPAC Name(5-benzoyl-3-phenylpyrrolo[1,2-c]pyrimidin-7-yl)-(4-phenylphenyl)methanone
SMILESO=C(c1ccccc1)c1cc(C(=O)c2ccc(-c3ccccc3)cc2)n2cnc(-c3ccccc3)cc12
InChIInChI=1S/C33H22N2O2/c36-32(26-14-8-3-9-15-26)28-20-31(35-22-34-29(21-30(28)35)25-12-6-2-7-13-25)33(37)27-18-16-24(17-19-27)23-10-4-1-5-11-23/h1-22H
InChIKeySTAQKWPQOFPOAY-UHFFFAOYSA-N
XLogP7.13
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.55
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[7-(4-chlorobenzoyl)-3-(4-phenylphenyl)pyrrolo[1,2-c]pyrimidin-5-yl]ethanone
CID 170860077
ethyl 7-(4-chlorobenzoyl)-3-(4-phenylphenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 5162517
ethyl 7-benzoyl-3-(4-methylphenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 3424246
ethyl 7-benzoyl-3-(4-hydroxyphenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 3461787
2-(dimethylamino)-1-[7-(3-nitrobenzoyl)-3-(4-phenylphenyl)pyrrolo[1,2-c]pyrimidin-5-yl]ethanone
CID 170895716
1-[7-(3-bromobenzoyl)-3-(4-phenylphenyl)pyrrolo[1,2-c]pyrimidin-5-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170861211
2-amino-1-[7-benzoyl-3-(2-chlorophenyl)pyrrolo[1,2-c]pyrimidin-5-yl]ethanone
CID 170860072
ethyl 7-benzoyl-3-(3,4,5-trimethoxyphenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 4280668
(1-benzoyl-7-methylindolizin-3-yl)-phenylmethanone
CID 10664811
[1-benzoyl-3-(4-bromobenzoyl)indolizin-7-yl]-phenylmethanone
CID 3248899
phenyl-(4-phenylphenyl)methanone
CID 155775877
ethyl 7-benzoyl-3-thiophen-2-ylpyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 12018432

Frequently Asked Questions

What is the IUPAC name of (5-benzoyl-3-phenylpyrrolo[1,2-c]pyrimidin-7-yl)-(4-phenylphenyl)methanone?
The IUPAC name of (5-benzoyl-3-phenylpyrrolo[1,2-c]pyrimidin-7-yl)-(4-phenylphenyl)methanone (CID 4662902) is (5-benzoyl-3-phenylpyrrolo[1,2-c]pyrimidin-7-yl)-(4-phenylphenyl)methanone.
What is the SMILES notation for (5-benzoyl-3-phenylpyrrolo[1,2-c]pyrimidin-7-yl)-(4-phenylphenyl)methanone?
The canonical SMILES for (5-benzoyl-3-phenylpyrrolo[1,2-c]pyrimidin-7-yl)-(4-phenylphenyl)methanone is O=C(c1ccccc1)c1cc(C(=O)c2ccc(-c3ccccc3)cc2)n2cnc(-c3ccccc3)cc12.
What is the InChIKey of (5-benzoyl-3-phenylpyrrolo[1,2-c]pyrimidin-7-yl)-(4-phenylphenyl)methanone?
The InChIKey is STAQKWPQOFPOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N2O2/c36-32(26-14-8-3-9-15-26)28-20-31(35-22-34-29(21-30(28)35)25-12-6-2-7-13-25)33(37)27-18-16-24(17-19-27)23-10-4-1-5-11-23/h1-22H.
What are the key properties of (5-benzoyl-3-phenylpyrrolo[1,2-c]pyrimidin-7-yl)-(4-phenylphenyl)methanone?
(5-benzoyl-3-phenylpyrrolo[1,2-c]pyrimidin-7-yl)-(4-phenylphenyl)methanone has a molecular weight of 478.55 g/mol, XLogP of 7.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzoyl-3-phenylpyrrolo[1,2-c]pyrimidin-7-yl)-(4-phenylphenyl)methanone is sourced from PubChem (CID 4662902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).