bis(3,5-diphenyl-1H-pyrrol-2-yl)methanone

C33H24N2O — CID 153465332

IUPACbis(3,5-diphenyl-1H-pyrrol-2-yl)methanone
SMILESO=C(c1[nH]c(-c2ccccc2)cc1-c1ccccc1)c1[nH]c(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C33H24N2O/c36-33(31-27(23-13-5-1-6-14-23)21-29(34-31)25-17-9-3-10-18-25)32-28(24-15-7-2-8-16-24)22-30(35-32)26-19-11-4-12-20-26/h1-22,34-35H
InChIKeyLQJLXQFARQTPOY-UHFFFAOYSA-N
MW464.57 g/mol
LogP8.24
Rot. Bonds6

About bis(3,5-diphenyl-1H-pyrrol-2-yl)methanone

bis(3,5-diphenyl-1H-pyrrol-2-yl)methanone (PubChem CID 153465332) has the molecular formula C33H24N2O and a molecular weight of 464.57 g/mol. Its IUPAC name is bis(3,5-diphenyl-1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Namebis(3,5-diphenyl-1H-pyrrol-2-yl)methanone
PubChem CID153465332
Molecular FormulaC33H24N2O
Molecular Weight464.57 g/mol
Exact Mass464.19
IUPAC Namebis(3,5-diphenyl-1H-pyrrol-2-yl)methanone
SMILESO=C(c1[nH]c(-c2ccccc2)cc1-c1ccccc1)c1[nH]c(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C33H24N2O/c36-33(31-27(23-13-5-1-6-14-23)21-29(34-31)25-17-9-3-10-18-25)32-28(24-15-7-2-8-16-24)22-30(35-32)26-19-11-4-12-20-26/h1-22,34-35H
InChIKeyLQJLXQFARQTPOY-UHFFFAOYSA-N
XLogP8.24
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 58.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-diphenyl-1H-pyrrole-2-carbohydrazide
CID 4617212
[3,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-phenylmethanone
CID 22648579
2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid
CID 134324247
3-(4-butoxyphenyl)-5-phenyl-1H-pyrrole-2-carboxylic acid
CID 70836257
ethyl 5-(4-iodophenyl)-3-phenyl-1H-pyrrole-2-carboxylate
CID 102235864
1-(4,6-diphenyl-2-sulfanylidene-1H-pyridin-3-yl)ethanone
CID 14615662
ethyl 3-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-5-phenyl-1H-pyrrole-2-carboxylate
CID 164666178
[3,5-bis(4-hexylphenyl)-1H-pyrrol-2-yl]-(2-methylphenyl)methanone
CID 22648572
methyl 8-[3-(4-methoxyphenyl)-5-phenyl-1H-pyrrol-2-yl]-8-oxooctanoate
CID 157267999
4,6-diphenyl-1H-pyridin-2-one
CID 3846201
ethyl 5-(2-fluorophenyl)-3-phenyl-1H-pyrrole-2-carboxylate
CID 141297667
N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 88850560

Frequently Asked Questions

What is the IUPAC name of bis(3,5-diphenyl-1H-pyrrol-2-yl)methanone?
The IUPAC name of bis(3,5-diphenyl-1H-pyrrol-2-yl)methanone (CID 153465332) is bis(3,5-diphenyl-1H-pyrrol-2-yl)methanone.
What is the SMILES notation for bis(3,5-diphenyl-1H-pyrrol-2-yl)methanone?
The canonical SMILES for bis(3,5-diphenyl-1H-pyrrol-2-yl)methanone is O=C(c1[nH]c(-c2ccccc2)cc1-c1ccccc1)c1[nH]c(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of bis(3,5-diphenyl-1H-pyrrol-2-yl)methanone?
The InChIKey is LQJLXQFARQTPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N2O/c36-33(31-27(23-13-5-1-6-14-23)21-29(34-31)25-17-9-3-10-18-25)32-28(24-15-7-2-8-16-24)22-30(35-32)26-19-11-4-12-20-26/h1-22,34-35H.
What are the key properties of bis(3,5-diphenyl-1H-pyrrol-2-yl)methanone?
bis(3,5-diphenyl-1H-pyrrol-2-yl)methanone has a molecular weight of 464.57 g/mol, XLogP of 8.24, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-diphenyl-1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 153465332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).