[5-[[5-(4-methoxybenzoyl)-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-phenylmethanone

C31H26N2O3 — CID 11070775

IUPAC[5-[[5-(4-methoxybenzoyl)-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-phenylmethanone
SMILESCOc1ccc(C(=O)c2ccc(C(c3ccc(C)cc3)c3ccc(C(=O)c4ccccc4)[nH]3)[nH]2)cc1
InChIInChI=1S/C31H26N2O3/c1-20-8-10-21(11-9-20)29(25-16-18-27(32-25)30(34)22-6-4-3-5-7-22)26-17-19-28(33-26)31(35)23-12-14-24(36-2)15-13-23/h3-19,29,32-33H,1-2H3
InChIKeySZYCLFWQBOYIMR-UHFFFAOYSA-N
MW474.56 g/mol
LogP6.30
Rot. Bonds8

About [5-[[5-(4-methoxybenzoyl)-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-phenylmethanone

[5-[[5-(4-methoxybenzoyl)-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-phenylmethanone (PubChem CID 11070775) has the molecular formula C31H26N2O3 and a molecular weight of 474.56 g/mol. Its IUPAC name is [5-[[5-(4-methoxybenzoyl)-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-[[5-(4-methoxybenzoyl)-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-phenylmethanone
PubChem CID11070775
Molecular FormulaC31H26N2O3
Molecular Weight474.56 g/mol
Exact Mass474.19
IUPAC Name[5-[[5-(4-methoxybenzoyl)-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-phenylmethanone
SMILESCOc1ccc(C(=O)c2ccc(C(c3ccc(C)cc3)c3ccc(C(=O)c4ccccc4)[nH]3)[nH]2)cc1
InChIInChI=1S/C31H26N2O3/c1-20-8-10-21(11-9-20)29(25-16-18-27(32-25)30(34)22-6-4-3-5-7-22)26-17-19-28(33-26)31(35)23-12-14-24(36-2)15-13-23/h3-19,29,32-33H,1-2H3
InChIKeySZYCLFWQBOYIMR-UHFFFAOYSA-N
XLogP6.30
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[[5-(4-methoxybenzoyl)-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-phenylmethanone
CID 10674222
4-[bis[5-(4-methoxybenzoyl)-1H-pyrrol-2-yl]methyl]benzonitrile
CID 122366571
[5-[[4-(4-methylbenzoyl)-1H-pyrrol-2-yl]-phenylmethyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone
CID 20820491
[5-[[5-(4-tert-butylbenzoyl)-1H-pyrrol-2-yl]-(4-tert-butylphenyl)methyl]-1H-pyrrol-2-yl]-(4-tert-butylphenyl)methanone
CID 10579447
2-trimethylsilylethyl 4-[[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-(1H-pyrrol-2-yl)methyl]benzoate
CID 10928999
2-[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]propanoic acid
CID 67635923
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
3-(4-methoxyphenyl)-3-[5-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]-1H-pyrrol-2-yl]-1-phenylpropan-1-one
CID 102404117
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575

Frequently Asked Questions

What is the IUPAC name of [5-[[5-(4-methoxybenzoyl)-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-phenylmethanone?
The IUPAC name of [5-[[5-(4-methoxybenzoyl)-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-phenylmethanone (CID 11070775) is [5-[[5-(4-methoxybenzoyl)-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-phenylmethanone.
What is the SMILES notation for [5-[[5-(4-methoxybenzoyl)-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-phenylmethanone?
The canonical SMILES for [5-[[5-(4-methoxybenzoyl)-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-phenylmethanone is COc1ccc(C(=O)c2ccc(C(c3ccc(C)cc3)c3ccc(C(=O)c4ccccc4)[nH]3)[nH]2)cc1.
What is the InChIKey of [5-[[5-(4-methoxybenzoyl)-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-phenylmethanone?
The InChIKey is SZYCLFWQBOYIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2O3/c1-20-8-10-21(11-9-20)29(25-16-18-27(32-25)30(34)22-6-4-3-5-7-22)26-17-19-28(33-26)31(35)23-12-14-24(36-2)15-13-23/h3-19,29,32-33H,1-2H3.
What are the key properties of [5-[[5-(4-methoxybenzoyl)-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-phenylmethanone?
[5-[[5-(4-methoxybenzoyl)-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-phenylmethanone has a molecular weight of 474.56 g/mol, XLogP of 6.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[5-(4-methoxybenzoyl)-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-phenylmethanone is sourced from PubChem (CID 11070775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).