N-[[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]-phenylmethylidene]benzamide

C32H26N2O — CID 10551685

IUPACN-[[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]-phenylmethylidene]benzamide
SMILESCc1ccc(-n2c(C)cc(/C(=N/C(=O)c3ccccc3)c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C32H26N2O/c1-23-18-20-28(21-19-23)34-24(2)22-29(31(34)26-14-8-4-9-15-26)30(25-12-6-3-7-13-25)33-32(35)27-16-10-5-11-17-27/h3-22H,1-2H3/b33-30+
InChIKeyVHGCTYJFCIEGNR-KKYHWDRJSA-N
MW454.57 g/mol
LogP7.44
Rot. Bonds5

About N-[[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]-phenylmethylidene]benzamide

N-[[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]-phenylmethylidene]benzamide (PubChem CID 10551685) has the molecular formula C32H26N2O and a molecular weight of 454.57 g/mol. Its IUPAC name is N-[[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]-phenylmethylidene]benzamide.

Molecular Properties

Compound NameN-[[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]-phenylmethylidene]benzamide
PubChem CID10551685
Molecular FormulaC32H26N2O
Molecular Weight454.57 g/mol
Exact Mass454.20
IUPAC NameN-[[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]-phenylmethylidene]benzamide
SMILESCc1ccc(-n2c(C)cc(/C(=N/C(=O)c3ccccc3)c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C32H26N2O/c1-23-18-20-28(21-19-23)34-24(2)22-29(31(34)26-14-8-4-9-15-26)30(25-12-6-3-7-13-25)33-32(35)27-16-10-5-11-17-27/h3-22H,1-2H3/b33-30+
InChIKeyVHGCTYJFCIEGNR-KKYHWDRJSA-N
XLogP7.44
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenyl)-1,3-diphenylisoindole
CID 66688273
cyclohexyl-[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]methanimine
CID 10570277
1,3-bis(4-methylphenyl)-4,5-diphenylimidazole-2-thione
CID 12674926
2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxo-N-phenylacetamide
CID 22515358
(Z)-3-[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile
CID 21374782
4-[1-(4-bromophenyl)-5-methyl-3-phenylpyrrol-2-yl]phenol
CID 22387406
N-(2-ethyl-6-methylphenyl)-6-methyl-1-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide
CID 23040521
[[2,5-dimethyl-1-(4-phenylphenyl)pyrrole-3-carbonyl]amino]phosphonic acid
CID 2322164
N-benzhydrylidene-4-benzoylbenzamide
CID 4145646
5-acetyl-4-hydroxy-6-(4-methylphenyl)-1-phenylpyridin-2-one
CID 54691801
ethyl 1-(3-methoxyphenyl)-5-methyl-2-phenylpyrrole-3-carboxylate
CID 59324439
3-hydroxy-4-iodo-N-[[1-(4-methylphenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]benzamide
CID 4195893

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]-phenylmethylidene]benzamide?
The IUPAC name of N-[[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]-phenylmethylidene]benzamide (CID 10551685) is N-[[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]-phenylmethylidene]benzamide.
What is the SMILES notation for N-[[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]-phenylmethylidene]benzamide?
The canonical SMILES for N-[[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]-phenylmethylidene]benzamide is Cc1ccc(-n2c(C)cc(/C(=N/C(=O)c3ccccc3)c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of N-[[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]-phenylmethylidene]benzamide?
The InChIKey is VHGCTYJFCIEGNR-KKYHWDRJSA-N. The full InChI is InChI=1S/C32H26N2O/c1-23-18-20-28(21-19-23)34-24(2)22-29(31(34)26-14-8-4-9-15-26)30(25-12-6-3-7-13-25)33-32(35)27-16-10-5-11-17-27/h3-22H,1-2H3/b33-30+.
What are the key properties of N-[[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]-phenylmethylidene]benzamide?
N-[[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]-phenylmethylidene]benzamide has a molecular weight of 454.57 g/mol, XLogP of 7.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]-phenylmethylidene]benzamide is sourced from PubChem (CID 10551685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).