(4-methylphenyl)-[5-(4-methylphenyl)-1,4-diphenylpyrrol-3-yl]methanone

C31H25NO — CID 132534798

IUPAC(4-methylphenyl)-[5-(4-methylphenyl)-1,4-diphenylpyrrol-3-yl]methanone
SMILESCc1ccc(C(=O)c2cn(-c3ccccc3)c(-c3ccc(C)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C31H25NO/c1-22-13-17-25(18-14-22)30-29(24-9-5-3-6-10-24)28(21-32(30)27-11-7-4-8-12-27)31(33)26-19-15-23(2)16-20-26/h3-21H,1-2H3
InChIKeyOUGXDTXLLHGVJV-UHFFFAOYSA-N
MW427.55 g/mol
LogP7.66
Rot. Bonds5

About (4-methylphenyl)-[5-(4-methylphenyl)-1,4-diphenylpyrrol-3-yl]methanone

(4-methylphenyl)-[5-(4-methylphenyl)-1,4-diphenylpyrrol-3-yl]methanone (PubChem CID 132534798) has the molecular formula C31H25NO and a molecular weight of 427.55 g/mol. Its IUPAC name is (4-methylphenyl)-[5-(4-methylphenyl)-1,4-diphenylpyrrol-3-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[5-(4-methylphenyl)-1,4-diphenylpyrrol-3-yl]methanone
PubChem CID132534798
Molecular FormulaC31H25NO
Molecular Weight427.55 g/mol
Exact Mass427.19
IUPAC Name(4-methylphenyl)-[5-(4-methylphenyl)-1,4-diphenylpyrrol-3-yl]methanone
SMILESCc1ccc(C(=O)c2cn(-c3ccccc3)c(-c3ccc(C)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C31H25NO/c1-22-13-17-25(18-14-22)30-29(24-9-5-3-6-10-24)28(21-32(30)27-11-7-4-8-12-27)31(33)26-19-15-23(2)16-20-26/h3-21H,1-2H3
InChIKeyOUGXDTXLLHGVJV-UHFFFAOYSA-N
XLogP7.66
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 15197844
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
2,5-bis(4-methylphenyl)-1,3,4-triphenylpyrrole
CID 166512378
ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
CID 159022602
2-[4-(4-methylbenzoyl)-1-phenylpyrrol-2-yl]acetonitrile
CID 86148895
4-benzoyl-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586588
2-benzoyl-5-(4-methylbenzoyl)terephthalic acid
CID 23586512
(4-methylphenyl)-(3,4,5-trimethoxy-2-phenylphenyl)methanone
CID 71574701
(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295
bicyclo[2.2.1]hepta-1,3,5-trien-7-one;(2,3-diphenylphenyl)-(4-methylphenyl)methanone
CID 67533776
[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-(4-methylphenyl)methanone
CID 141193496
[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-(4-methylphenyl)methanone;sulfane
CID 174584784

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[5-(4-methylphenyl)-1,4-diphenylpyrrol-3-yl]methanone?
The IUPAC name of (4-methylphenyl)-[5-(4-methylphenyl)-1,4-diphenylpyrrol-3-yl]methanone (CID 132534798) is (4-methylphenyl)-[5-(4-methylphenyl)-1,4-diphenylpyrrol-3-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[5-(4-methylphenyl)-1,4-diphenylpyrrol-3-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[5-(4-methylphenyl)-1,4-diphenylpyrrol-3-yl]methanone is Cc1ccc(C(=O)c2cn(-c3ccccc3)c(-c3ccc(C)cc3)c2-c2ccccc2)cc1.
What is the InChIKey of (4-methylphenyl)-[5-(4-methylphenyl)-1,4-diphenylpyrrol-3-yl]methanone?
The InChIKey is OUGXDTXLLHGVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25NO/c1-22-13-17-25(18-14-22)30-29(24-9-5-3-6-10-24)28(21-32(30)27-11-7-4-8-12-27)31(33)26-19-15-23(2)16-20-26/h3-21H,1-2H3.
What are the key properties of (4-methylphenyl)-[5-(4-methylphenyl)-1,4-diphenylpyrrol-3-yl]methanone?
(4-methylphenyl)-[5-(4-methylphenyl)-1,4-diphenylpyrrol-3-yl]methanone has a molecular weight of 427.55 g/mol, XLogP of 7.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[5-(4-methylphenyl)-1,4-diphenylpyrrol-3-yl]methanone is sourced from PubChem (CID 132534798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).