2-[(5-benzyl-1H-pyrrol-2-yl)methylidene]-3-phenylmethoxy-5-(1H-pyrrol-2-yl)pyrrole

C27H23N3O — CID 136834293

IUPAC2-[(5-benzyl-1H-pyrrol-2-yl)methylidene]-3-phenylmethoxy-5-(1H-pyrrol-2-yl)pyrrole
SMILESC(=C1N=C(c2ccc[nH]2)C=C1OCc1ccccc1)c1ccc(Cc2ccccc2)[nH]1
InChIInChI=1S/C27H23N3O/c1-3-8-20(9-4-1)16-22-13-14-23(29-22)17-26-27(31-19-21-10-5-2-6-11-21)18-25(30-26)24-12-7-15-28-24/h1-15,17-18,28-29H,16,19H2
InChIKeyCVIPWMISDADBIK-UHFFFAOYSA-N
MW405.50 g/mol
LogP5.88
Rot. Bonds7

About 2-[(5-benzyl-1H-pyrrol-2-yl)methylidene]-3-phenylmethoxy-5-(1H-pyrrol-2-yl)pyrrole

2-[(5-benzyl-1H-pyrrol-2-yl)methylidene]-3-phenylmethoxy-5-(1H-pyrrol-2-yl)pyrrole (PubChem CID 136834293) has the molecular formula C27H23N3O and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[(5-benzyl-1H-pyrrol-2-yl)methylidene]-3-phenylmethoxy-5-(1H-pyrrol-2-yl)pyrrole.

Molecular Properties

Compound Name2-[(5-benzyl-1H-pyrrol-2-yl)methylidene]-3-phenylmethoxy-5-(1H-pyrrol-2-yl)pyrrole
PubChem CID136834293
Molecular FormulaC27H23N3O
Molecular Weight405.50 g/mol
Exact Mass405.18
IUPAC Name2-[(5-benzyl-1H-pyrrol-2-yl)methylidene]-3-phenylmethoxy-5-(1H-pyrrol-2-yl)pyrrole
SMILESC(=C1N=C(c2ccc[nH]2)C=C1OCc1ccccc1)c1ccc(Cc2ccccc2)[nH]1
InChIInChI=1S/C27H23N3O/c1-3-8-20(9-4-1)16-22-13-14-23(29-22)17-26-27(31-19-21-10-5-2-6-11-21)18-25(30-26)24-12-7-15-28-24/h1-15,17-18,28-29H,16,19H2
InChIKeyCVIPWMISDADBIK-UHFFFAOYSA-N
XLogP5.88
TPSA53.17 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2Z)-3-phenylmethoxy-2-[(5-propan-2-yl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole
CID 135544020
2-[[5-(5-phenoxypentyl)-1H-pyrrol-2-yl]methylidene]-3-propoxy-5-(1H-pyrrol-2-yl)pyrrole
CID 152780873
2-pentyl-11-[[3-phenylmethoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-10-azabicyclo[7.2.1]dodeca-1(11),9(12)-diene
CID 136508399
tert-butyl 2-[(5E)-5-[(5-methyl-1H-pyrrol-2-yl)methylidene]-4-phenylmethoxypyrrol-2-yl]pyrrole-1-carboxylate
CID 10950036
2-[(5-decyl-1H-pyrrol-2-yl)methylidene]-3-ethoxy-5-(5-methyl-1H-pyrrol-2-yl)pyrrole;hydrochloride
CID 70136775
2-[(5-hexyl-3-methyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole
CID 136504340
ethyl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 135540842
3-ethyl-2,4-dimethyl-5-[[5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]pyrrole
CID 135740410
N-phenylmethoxy-1-(1H-pyrrol-2-yl)methanamine
CID 82710009
(2Z)-4-ethyl-3-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole
CID 145180859
(2S)-2-ethyl-13-[[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-12-azabicyclo[9.2.1]tetradeca-1(13),11(14)-diene
CID 169423615
benzyl 2-(1H-pyrrol-2-yl)acetate
CID 175566769

Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzyl-1H-pyrrol-2-yl)methylidene]-3-phenylmethoxy-5-(1H-pyrrol-2-yl)pyrrole?
The IUPAC name of 2-[(5-benzyl-1H-pyrrol-2-yl)methylidene]-3-phenylmethoxy-5-(1H-pyrrol-2-yl)pyrrole (CID 136834293) is 2-[(5-benzyl-1H-pyrrol-2-yl)methylidene]-3-phenylmethoxy-5-(1H-pyrrol-2-yl)pyrrole.
What is the SMILES notation for 2-[(5-benzyl-1H-pyrrol-2-yl)methylidene]-3-phenylmethoxy-5-(1H-pyrrol-2-yl)pyrrole?
The canonical SMILES for 2-[(5-benzyl-1H-pyrrol-2-yl)methylidene]-3-phenylmethoxy-5-(1H-pyrrol-2-yl)pyrrole is C(=C1N=C(c2ccc[nH]2)C=C1OCc1ccccc1)c1ccc(Cc2ccccc2)[nH]1.
What is the InChIKey of 2-[(5-benzyl-1H-pyrrol-2-yl)methylidene]-3-phenylmethoxy-5-(1H-pyrrol-2-yl)pyrrole?
The InChIKey is CVIPWMISDADBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O/c1-3-8-20(9-4-1)16-22-13-14-23(29-22)17-26-27(31-19-21-10-5-2-6-11-21)18-25(30-26)24-12-7-15-28-24/h1-15,17-18,28-29H,16,19H2.
What are the key properties of 2-[(5-benzyl-1H-pyrrol-2-yl)methylidene]-3-phenylmethoxy-5-(1H-pyrrol-2-yl)pyrrole?
2-[(5-benzyl-1H-pyrrol-2-yl)methylidene]-3-phenylmethoxy-5-(1H-pyrrol-2-yl)pyrrole has a molecular weight of 405.50 g/mol, XLogP of 5.88, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-benzyl-1H-pyrrol-2-yl)methylidene]-3-phenylmethoxy-5-(1H-pyrrol-2-yl)pyrrole is sourced from PubChem (CID 136834293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).