[4-(2,5-diphenylpyrrol-1-yl)phenyl]-morpholin-4-ylmethanone

C27H24N2O2 — CID 4519819

IUPAC[4-(2,5-diphenylpyrrol-1-yl)phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1)N1CCOCC1
InChIInChI=1S/C27H24N2O2/c30-27(28-17-19-31-20-18-28)23-11-13-24(14-12-23)29-25(21-7-3-1-4-8-21)15-16-26(29)22-9-5-2-6-10-22/h1-16H,17-20H2
InChIKeyACMXBKNVMHWNFN-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.28
Rot. Bonds4

About [4-(2,5-diphenylpyrrol-1-yl)phenyl]-morpholin-4-ylmethanone

[4-(2,5-diphenylpyrrol-1-yl)phenyl]-morpholin-4-ylmethanone (PubChem CID 4519819) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is [4-(2,5-diphenylpyrrol-1-yl)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2,5-diphenylpyrrol-1-yl)phenyl]-morpholin-4-ylmethanone
PubChem CID4519819
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC Name[4-(2,5-diphenylpyrrol-1-yl)phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1)N1CCOCC1
InChIInChI=1S/C27H24N2O2/c30-27(28-17-19-31-20-18-28)23-11-13-24(14-12-23)29-25(21-7-3-1-4-8-21)15-16-26(29)22-9-5-2-6-10-22/h1-16H,17-20H2
InChIKeyACMXBKNVMHWNFN-UHFFFAOYSA-N
XLogP5.28
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-3-phenylphenyl)-morpholin-4-ylmethanone
CID 110675198
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
[4-[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 66840390
4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051557
lithium 4-(morpholine-4-carbonyl)benzoate
CID 142428468
[4-(4-hydroxyphenyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 8779428
[4-(benzenesulfonyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 70703458
(4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
CID 108533783
N-[3-(morpholine-4-carbonyl)phenyl]-4-phenylbenzamide
CID 17205412
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
2-morpholin-4-yl-1-(4-phenylphenyl)-2-sulfanylideneethanone
CID 130430007
3-[4-(morpholine-4-carbonyl)phenyl]propanoic acid
CID 28760123

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-diphenylpyrrol-1-yl)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(2,5-diphenylpyrrol-1-yl)phenyl]-morpholin-4-ylmethanone (CID 4519819) is [4-(2,5-diphenylpyrrol-1-yl)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(2,5-diphenylpyrrol-1-yl)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(2,5-diphenylpyrrol-1-yl)phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1)N1CCOCC1.
What is the InChIKey of [4-(2,5-diphenylpyrrol-1-yl)phenyl]-morpholin-4-ylmethanone?
The InChIKey is ACMXBKNVMHWNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2/c30-27(28-17-19-31-20-18-28)23-11-13-24(14-12-23)29-25(21-7-3-1-4-8-21)15-16-26(29)22-9-5-2-6-10-22/h1-16H,17-20H2.
What are the key properties of [4-(2,5-diphenylpyrrol-1-yl)phenyl]-morpholin-4-ylmethanone?
[4-(2,5-diphenylpyrrol-1-yl)phenyl]-morpholin-4-ylmethanone has a molecular weight of 408.50 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-diphenylpyrrol-1-yl)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 4519819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).