2,2-dimethyl-6-(4-phenoxyphenyl)-7-phenyl-1,3-dihydropyrrolizine

C27H25NO — CID 10091129

IUPAC2,2-dimethyl-6-(4-phenoxyphenyl)-7-phenyl-1,3-dihydropyrrolizine
SMILESCC1(C)Cc2c(-c3ccccc3)c(-c3ccc(Oc4ccccc4)cc3)cn2C1
InChIInChI=1S/C27H25NO/c1-27(2)17-25-26(21-9-5-3-6-10-21)24(18-28(25)19-27)20-13-15-23(16-14-20)29-22-11-7-4-8-12-22/h3-16,18H,17,19H2,1-2H3
InChIKeyLZFWXBAHWAIELL-UHFFFAOYSA-N
MW379.50 g/mol
LogP7.20
Rot. Bonds4

About 2,2-dimethyl-6-(4-phenoxyphenyl)-7-phenyl-1,3-dihydropyrrolizine

2,2-dimethyl-6-(4-phenoxyphenyl)-7-phenyl-1,3-dihydropyrrolizine (PubChem CID 10091129) has the molecular formula C27H25NO and a molecular weight of 379.50 g/mol. Its IUPAC name is 2,2-dimethyl-6-(4-phenoxyphenyl)-7-phenyl-1,3-dihydropyrrolizine.

Molecular Properties

Compound Name2,2-dimethyl-6-(4-phenoxyphenyl)-7-phenyl-1,3-dihydropyrrolizine
PubChem CID10091129
Molecular FormulaC27H25NO
Molecular Weight379.50 g/mol
Exact Mass379.19
IUPAC Name2,2-dimethyl-6-(4-phenoxyphenyl)-7-phenyl-1,3-dihydropyrrolizine
SMILESCC1(C)Cc2c(-c3ccccc3)c(-c3ccc(Oc4ccccc4)cc3)cn2C1
InChIInChI=1S/C27H25NO/c1-27(2)17-25-26(21-9-5-3-6-10-21)24(18-28(25)19-27)20-13-15-23(16-14-20)29-22-11-7-4-8-12-22/h3-16,18H,17,19H2,1-2H3
InChIKeyLZFWXBAHWAIELL-UHFFFAOYSA-N
XLogP7.20
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(4-phenoxyphenyl)-7-phenyl-1,3-dihydropyrrolizine?
The IUPAC name of 2,2-dimethyl-6-(4-phenoxyphenyl)-7-phenyl-1,3-dihydropyrrolizine (CID 10091129) is 2,2-dimethyl-6-(4-phenoxyphenyl)-7-phenyl-1,3-dihydropyrrolizine.
What is the SMILES notation for 2,2-dimethyl-6-(4-phenoxyphenyl)-7-phenyl-1,3-dihydropyrrolizine?
The canonical SMILES for 2,2-dimethyl-6-(4-phenoxyphenyl)-7-phenyl-1,3-dihydropyrrolizine is CC1(C)Cc2c(-c3ccccc3)c(-c3ccc(Oc4ccccc4)cc3)cn2C1.
What is the InChIKey of 2,2-dimethyl-6-(4-phenoxyphenyl)-7-phenyl-1,3-dihydropyrrolizine?
The InChIKey is LZFWXBAHWAIELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO/c1-27(2)17-25-26(21-9-5-3-6-10-21)24(18-28(25)19-27)20-13-15-23(16-14-20)29-22-11-7-4-8-12-22/h3-16,18H,17,19H2,1-2H3.
What are the key properties of 2,2-dimethyl-6-(4-phenoxyphenyl)-7-phenyl-1,3-dihydropyrrolizine?
2,2-dimethyl-6-(4-phenoxyphenyl)-7-phenyl-1,3-dihydropyrrolizine has a molecular weight of 379.50 g/mol, XLogP of 7.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(4-phenoxyphenyl)-7-phenyl-1,3-dihydropyrrolizine is sourced from PubChem (CID 10091129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).