(2R,5S)-1,2,5-triphenyl-3-phenylmethoxy-2,5-dihydropyrrole

C29H25NO — CID 11384138

IUPAC(2R,5S)-1,2,5-triphenyl-3-phenylmethoxy-2,5-dihydropyrrole
SMILESC1=C(OCc2ccccc2)[C@@H](c2ccccc2)N(c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C29H25NO/c1-5-13-23(14-6-1)22-31-28-21-27(24-15-7-2-8-16-24)30(26-19-11-4-12-20-26)29(28)25-17-9-3-10-18-25/h1-21,27,29H,22H2/t27-,29+/m0/s1
InChIKeyUTQRGTIZSAENDI-LMSSTIIKSA-N
MW403.53 g/mol
LogP7.09
Rot. Bonds6

About (2R,5S)-1,2,5-triphenyl-3-phenylmethoxy-2,5-dihydropyrrole

(2R,5S)-1,2,5-triphenyl-3-phenylmethoxy-2,5-dihydropyrrole (PubChem CID 11384138) has the molecular formula C29H25NO and a molecular weight of 403.53 g/mol. Its IUPAC name is (2R,5S)-1,2,5-triphenyl-3-phenylmethoxy-2,5-dihydropyrrole.

Molecular Properties

Compound Name(2R,5S)-1,2,5-triphenyl-3-phenylmethoxy-2,5-dihydropyrrole
PubChem CID11384138
Molecular FormulaC29H25NO
Molecular Weight403.53 g/mol
Exact Mass403.19
IUPAC Name(2R,5S)-1,2,5-triphenyl-3-phenylmethoxy-2,5-dihydropyrrole
SMILESC1=C(OCc2ccccc2)[C@@H](c2ccccc2)N(c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C29H25NO/c1-5-13-23(14-6-1)22-31-28-21-27(24-15-7-2-8-16-24)30(26-19-11-4-12-20-26)29(28)25-17-9-3-10-18-25/h1-21,27,29H,22H2/t27-,29+/m0/s1
InChIKeyUTQRGTIZSAENDI-LMSSTIIKSA-N
XLogP7.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 146166263
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CID 54702886
3-methyl-4-phenylmethoxy-2,3-dihydro-1H-pyrazole
CID 170590289
diethyl (2S,5R)-1,2,5-triphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
CID 92534220
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2,3-diphenyl-5-(4-phenylmethoxyphenyl)-3,4-dihydropyrazole
CID 50886955
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CID 173082625
2-phenyl-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
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CID 57032337
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(2R)-1-benzyl-2-[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]-3-phenylmethoxy-2,5-dihydropyrrole
CID 11373711

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-1,2,5-triphenyl-3-phenylmethoxy-2,5-dihydropyrrole?
The IUPAC name of (2R,5S)-1,2,5-triphenyl-3-phenylmethoxy-2,5-dihydropyrrole (CID 11384138) is (2R,5S)-1,2,5-triphenyl-3-phenylmethoxy-2,5-dihydropyrrole.
What is the SMILES notation for (2R,5S)-1,2,5-triphenyl-3-phenylmethoxy-2,5-dihydropyrrole?
The canonical SMILES for (2R,5S)-1,2,5-triphenyl-3-phenylmethoxy-2,5-dihydropyrrole is C1=C(OCc2ccccc2)[C@@H](c2ccccc2)N(c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (2R,5S)-1,2,5-triphenyl-3-phenylmethoxy-2,5-dihydropyrrole?
The InChIKey is UTQRGTIZSAENDI-LMSSTIIKSA-N. The full InChI is InChI=1S/C29H25NO/c1-5-13-23(14-6-1)22-31-28-21-27(24-15-7-2-8-16-24)30(26-19-11-4-12-20-26)29(28)25-17-9-3-10-18-25/h1-21,27,29H,22H2/t27-,29+/m0/s1.
What are the key properties of (2R,5S)-1,2,5-triphenyl-3-phenylmethoxy-2,5-dihydropyrrole?
(2R,5S)-1,2,5-triphenyl-3-phenylmethoxy-2,5-dihydropyrrole has a molecular weight of 403.53 g/mol, XLogP of 7.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-1,2,5-triphenyl-3-phenylmethoxy-2,5-dihydropyrrole is sourced from PubChem (CID 11384138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).