6-(4-phenoxyphenyl)-7-phenyl-2,3-dihydro-1H-pyrrolizine

C25H21NO — CID 19784707

IUPAC6-(4-phenoxyphenyl)-7-phenyl-2,3-dihydro-1H-pyrrolizine
SMILESc1ccc(Oc2ccc(-c3cn4c(c3-c3ccccc3)CCC4)cc2)cc1
InChIInChI=1S/C25H21NO/c1-3-8-20(9-4-1)25-23(18-26-17-7-12-24(25)26)19-13-15-22(16-14-19)27-21-10-5-2-6-11-21/h1-6,8-11,13-16,18H,7,12,17H2
InChIKeyFXNFJMAMLVICNT-UHFFFAOYSA-N
MW351.45 g/mol
LogP6.56
Rot. Bonds4

About 6-(4-phenoxyphenyl)-7-phenyl-2,3-dihydro-1H-pyrrolizine

6-(4-phenoxyphenyl)-7-phenyl-2,3-dihydro-1H-pyrrolizine (PubChem CID 19784707) has the molecular formula C25H21NO and a molecular weight of 351.45 g/mol. Its IUPAC name is 6-(4-phenoxyphenyl)-7-phenyl-2,3-dihydro-1H-pyrrolizine.

Molecular Properties

Compound Name6-(4-phenoxyphenyl)-7-phenyl-2,3-dihydro-1H-pyrrolizine
PubChem CID19784707
Molecular FormulaC25H21NO
Molecular Weight351.45 g/mol
Exact Mass351.16
IUPAC Name6-(4-phenoxyphenyl)-7-phenyl-2,3-dihydro-1H-pyrrolizine
SMILESc1ccc(Oc2ccc(-c3cn4c(c3-c3ccccc3)CCC4)cc2)cc1
InChIInChI=1S/C25H21NO/c1-3-8-20(9-4-1)25-23(18-26-17-7-12-24(25)26)19-13-15-22(16-14-19)27-21-10-5-2-6-11-21/h1-6,8-11,13-16,18H,7,12,17H2
InChIKeyFXNFJMAMLVICNT-UHFFFAOYSA-N
XLogP6.56
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-6-(4-phenoxyphenyl)-7-phenyl-1,3-dihydropyrrolizine
CID 10091129
lithium;hydride;1-phenyl-4-(4-phenylphenoxy)benzene
CID 175041898
1-(cyclopenten-1-yl)-4-phenoxybenzene
CID 57119674
2,2-dimethyl-6,7-diphenyl-1,3-dihydropyrrolizine
CID 14027414
3,6-dimethyl-2-(4-phenoxyphenyl)aniline
CID 173271409
5-(4-methoxyphenyl)-4,7-diphenyl-2,3-dihydro-1H-indene
CID 53473730
1,2-diethyl-4-(4-phenoxyphenyl)-3-phenylbenzene
CID 173252545
oxophosphanium;phenoxybenzene
CID 161329594
N-(2-methyl-4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 3046004
4-methyl-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridine
CID 135250258
potassium phenoxybenzene
CID 19858586
iron;phenoxybenzene
CID 174434720

Frequently Asked Questions

What is the IUPAC name of 6-(4-phenoxyphenyl)-7-phenyl-2,3-dihydro-1H-pyrrolizine?
The IUPAC name of 6-(4-phenoxyphenyl)-7-phenyl-2,3-dihydro-1H-pyrrolizine (CID 19784707) is 6-(4-phenoxyphenyl)-7-phenyl-2,3-dihydro-1H-pyrrolizine.
What is the SMILES notation for 6-(4-phenoxyphenyl)-7-phenyl-2,3-dihydro-1H-pyrrolizine?
The canonical SMILES for 6-(4-phenoxyphenyl)-7-phenyl-2,3-dihydro-1H-pyrrolizine is c1ccc(Oc2ccc(-c3cn4c(c3-c3ccccc3)CCC4)cc2)cc1.
What is the InChIKey of 6-(4-phenoxyphenyl)-7-phenyl-2,3-dihydro-1H-pyrrolizine?
The InChIKey is FXNFJMAMLVICNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO/c1-3-8-20(9-4-1)25-23(18-26-17-7-12-24(25)26)19-13-15-22(16-14-19)27-21-10-5-2-6-11-21/h1-6,8-11,13-16,18H,7,12,17H2.
What are the key properties of 6-(4-phenoxyphenyl)-7-phenyl-2,3-dihydro-1H-pyrrolizine?
6-(4-phenoxyphenyl)-7-phenyl-2,3-dihydro-1H-pyrrolizine has a molecular weight of 351.45 g/mol, XLogP of 6.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenoxyphenyl)-7-phenyl-2,3-dihydro-1H-pyrrolizine is sourced from PubChem (CID 19784707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).