[5-[[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone

C32H28N2O2 — CID 10672119

IUPAC[5-[[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(C(c3ccc(C)cc3)c3ccc(C(=O)c4ccc(C)cc4)[nH]3)[nH]2)cc1
InChIInChI=1S/C32H28N2O2/c1-20-4-10-23(11-5-20)30(26-16-18-28(33-26)31(35)24-12-6-21(2)7-13-24)27-17-19-29(34-27)32(36)25-14-8-22(3)9-15-25/h4-19,30,33-34H,1-3H3
InChIKeySAFGQDGNGMIBJT-UHFFFAOYSA-N
MW472.59 g/mol
LogP6.91
Rot. Bonds7

About [5-[[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone

[5-[[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone (PubChem CID 10672119) has the molecular formula C32H28N2O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is [5-[[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[5-[[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone
PubChem CID10672119
Molecular FormulaC32H28N2O2
Molecular Weight472.59 g/mol
Exact Mass472.22
IUPAC Name[5-[[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(C(c3ccc(C)cc3)c3ccc(C(=O)c4ccc(C)cc4)[nH]3)[nH]2)cc1
InChIInChI=1S/C32H28N2O2/c1-20-4-10-23(11-5-20)30(26-16-18-28(33-26)31(35)24-12-6-21(2)7-13-24)27-17-19-29(34-27)32(36)25-14-8-22(3)9-15-25/h4-19,30,33-34H,1-3H3
InChIKeySAFGQDGNGMIBJT-UHFFFAOYSA-N
XLogP6.91
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 56.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-[[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone?
The IUPAC name of [5-[[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone (CID 10672119) is [5-[[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [5-[[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [5-[[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccc(C(c3ccc(C)cc3)c3ccc(C(=O)c4ccc(C)cc4)[nH]3)[nH]2)cc1.
What is the InChIKey of [5-[[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone?
The InChIKey is SAFGQDGNGMIBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2O2/c1-20-4-10-23(11-5-20)30(26-16-18-28(33-26)31(35)24-12-6-21(2)7-13-24)27-17-19-29(34-27)32(36)25-14-8-22(3)9-15-25/h4-19,30,33-34H,1-3H3.
What are the key properties of [5-[[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone?
[5-[[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone has a molecular weight of 472.59 g/mol, XLogP of 6.91, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 10672119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).