[5-[[5-[(5-benzoyl-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]-phenylmethanone

C38H43N3O2 — CID 18914948

IUPAC[5-[[5-[(5-benzoyl-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]-phenylmethanone
SMILESCCc1c(Cc2[nH]c(Cc3[nH]c(C(=O)c4ccccc4)c(C)c3CC)c(CC)c2CC)[nH]c(C(=O)c2ccccc2)c1C
InChIInChI=1S/C38H43N3O2/c1-7-27-23(5)35(37(42)25-17-13-11-14-18-25)40-31(27)21-33-29(9-3)30(10-4)34(39-33)22-32-28(8-2)24(6)36(41-32)38(43)26-19-15-12-16-20-26/h11-20,39-41H,7-10,21-22H2,1-6H3
InChIKeyGNTJKDXYAZEEFR-UHFFFAOYSA-N
MW573.78 g/mol
LogP8.18
Rot. Bonds12

About [5-[[5-[(5-benzoyl-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]-phenylmethanone

[5-[[5-[(5-benzoyl-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]-phenylmethanone (PubChem CID 18914948) has the molecular formula C38H43N3O2 and a molecular weight of 573.78 g/mol. Its IUPAC name is [5-[[5-[(5-benzoyl-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-[[5-[(5-benzoyl-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]-phenylmethanone
PubChem CID18914948
Molecular FormulaC38H43N3O2
Molecular Weight573.78 g/mol
Exact Mass573.34
IUPAC Name[5-[[5-[(5-benzoyl-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]-phenylmethanone
SMILESCCc1c(Cc2[nH]c(Cc3[nH]c(C(=O)c4ccccc4)c(C)c3CC)c(CC)c2CC)[nH]c(C(=O)c2ccccc2)c1C
InChIInChI=1S/C38H43N3O2/c1-7-27-23(5)35(37(42)25-17-13-11-14-18-25)40-31(27)21-33-29(9-3)30(10-4)34(39-33)22-32-28(8-2)24(6)36(41-32)38(43)26-19-15-12-16-20-26/h11-20,39-41H,7-10,21-22H2,1-6H3
InChIKeyGNTJKDXYAZEEFR-UHFFFAOYSA-N
XLogP8.18
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.78
LogP ≤ 58.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [5-[[5-[(5-benzoyl-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]-phenylmethanone with MolForge

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Launch Full Analysis

Related Compounds

benzyl 4-tert-butyl-5-[[5-[(3-tert-butyl-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl]-3,4-diethyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylate
CID 11115137
(5-ethyl-3-methyl-1H-pyrrol-2-yl)-phenylmethanone
CID 14612003
benzyl 5-benzoyl-3,4-dimethyl-1H-pyrrole-2-carboxylate
CID 1230917
5-(5-carboxy-4-ethyl-3-methyl-1H-pyrrole-2-carbonyl)-3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid
CID 44718909
5-[[1-[(5-carboxy-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethylpyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid
CID 70296884
5-[[5-[(5-carboxy-3,4-diethyl-1H-pyrrol-2-yl)methyl]-3,4-bis(3-ethoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-3,4-diethyl-1H-pyrrole-2-carboxylic acid
CID 10746518
[5-(5-benzoyl-4-ethyl-3-methyl-1H-pyrrol-2-yl)-3-ethyl-4-methyl-1H-pyrrol-2-yl]-cyclohexa-1,3-dien-1-ylmethanone
CID 71035253
(2-benzoyl-3,4-diethylphenyl)-phenylmethanone
CID 175879744
(2-butyl-3,4,5,6-tetraethylphenyl)-phenylmethanone
CID 15370927
(4-benzoyl-2,5-dimethyl-1H-pyrrol-3-yl)-phenylmethanone
CID 86183747
(2,3-diethylphenyl)-phenylmethanone;phosphenous acid
CID 174596350
sodium;(2-ethylphenyl)-phenylmethanone;hydride
CID 175475173

Frequently Asked Questions

What is the IUPAC name of [5-[[5-[(5-benzoyl-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]-phenylmethanone?
The IUPAC name of [5-[[5-[(5-benzoyl-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]-phenylmethanone (CID 18914948) is [5-[[5-[(5-benzoyl-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]-phenylmethanone.
What is the SMILES notation for [5-[[5-[(5-benzoyl-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]-phenylmethanone?
The canonical SMILES for [5-[[5-[(5-benzoyl-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]-phenylmethanone is CCc1c(Cc2[nH]c(Cc3[nH]c(C(=O)c4ccccc4)c(C)c3CC)c(CC)c2CC)[nH]c(C(=O)c2ccccc2)c1C.
What is the InChIKey of [5-[[5-[(5-benzoyl-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]-phenylmethanone?
The InChIKey is GNTJKDXYAZEEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43N3O2/c1-7-27-23(5)35(37(42)25-17-13-11-14-18-25)40-31(27)21-33-29(9-3)30(10-4)34(39-33)22-32-28(8-2)24(6)36(41-32)38(43)26-19-15-12-16-20-26/h11-20,39-41H,7-10,21-22H2,1-6H3.
What are the key properties of [5-[[5-[(5-benzoyl-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]-phenylmethanone?
[5-[[5-[(5-benzoyl-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]-phenylmethanone has a molecular weight of 573.78 g/mol, XLogP of 8.18, 12 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[5-[(5-benzoyl-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]-phenylmethanone is sourced from PubChem (CID 18914948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).