phenyl-(1,2,5-triphenyl-2,3-dihydropyrrol-4-yl)methanone

C29H23NO — CID 134951356

IUPACphenyl-(1,2,5-triphenyl-2,3-dihydropyrrol-4-yl)methanone
SMILESO=C(C1=C(c2ccccc2)N(c2ccccc2)C(c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C29H23NO/c31-29(24-17-9-3-10-18-24)26-21-27(22-13-5-1-6-14-22)30(25-19-11-4-12-20-25)28(26)23-15-7-2-8-16-23/h1-20,27H,21H2
InChIKeyOCILVNWWOPSMTP-UHFFFAOYSA-N
MW401.51 g/mol
LogP6.93
Rot. Bonds5

About phenyl-(1,2,5-triphenyl-2,3-dihydropyrrol-4-yl)methanone

phenyl-(1,2,5-triphenyl-2,3-dihydropyrrol-4-yl)methanone (PubChem CID 134951356) has the molecular formula C29H23NO and a molecular weight of 401.51 g/mol. Its IUPAC name is phenyl-(1,2,5-triphenyl-2,3-dihydropyrrol-4-yl)methanone.

Molecular Properties

Compound Namephenyl-(1,2,5-triphenyl-2,3-dihydropyrrol-4-yl)methanone
PubChem CID134951356
Molecular FormulaC29H23NO
Molecular Weight401.51 g/mol
Exact Mass401.18
IUPAC Namephenyl-(1,2,5-triphenyl-2,3-dihydropyrrol-4-yl)methanone
SMILESO=C(C1=C(c2ccccc2)N(c2ccccc2)C(c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C29H23NO/c31-29(24-17-9-3-10-18-24)26-21-27(22-13-5-1-6-14-22)30(25-19-11-4-12-20-25)28(26)23-15-7-2-8-16-23/h1-20,27H,21H2
InChIKeyOCILVNWWOPSMTP-UHFFFAOYSA-N
XLogP6.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-methylphenyl)-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone
CID 134951360
[(2R)-1-cyclopropyl-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone
CID 164685207
1-(5-benzoyl-2-methyl-1,6-diphenyl-4H-pyridin-3-yl)ethanone
CID 44551442
4-(4-bromophenyl)-1-phenylazetidin-2-one
CID 22142286
diphenylmethanone;gold
CID 174931146
(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907
2,3-diphenyl-1,2-dihydrobenzo[e]indole
CID 177307260
4-benzoyl-5-phenyl-2,3-dihydrofuran-2-carboxamide
CID 10946294
diphenylmethanone
CID 3102
1-phenyl-2-[2-(4-phenylphenyl)piperidin-1-yl]ethanone
CID 18423529
tert-butyl (2S)-2,4,5-triphenyl-2,3-dihydropyrrole-1-carboxylate
CID 102080261
phenyl-(4-phenylphenyl)methanone
CID 155775877

Frequently Asked Questions

What is the IUPAC name of phenyl-(1,2,5-triphenyl-2,3-dihydropyrrol-4-yl)methanone?
The IUPAC name of phenyl-(1,2,5-triphenyl-2,3-dihydropyrrol-4-yl)methanone (CID 134951356) is phenyl-(1,2,5-triphenyl-2,3-dihydropyrrol-4-yl)methanone.
What is the SMILES notation for phenyl-(1,2,5-triphenyl-2,3-dihydropyrrol-4-yl)methanone?
The canonical SMILES for phenyl-(1,2,5-triphenyl-2,3-dihydropyrrol-4-yl)methanone is O=C(C1=C(c2ccccc2)N(c2ccccc2)C(c2ccccc2)C1)c1ccccc1.
What is the InChIKey of phenyl-(1,2,5-triphenyl-2,3-dihydropyrrol-4-yl)methanone?
The InChIKey is OCILVNWWOPSMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO/c31-29(24-17-9-3-10-18-24)26-21-27(22-13-5-1-6-14-22)30(25-19-11-4-12-20-25)28(26)23-15-7-2-8-16-23/h1-20,27H,21H2.
What are the key properties of phenyl-(1,2,5-triphenyl-2,3-dihydropyrrol-4-yl)methanone?
phenyl-(1,2,5-triphenyl-2,3-dihydropyrrol-4-yl)methanone has a molecular weight of 401.51 g/mol, XLogP of 6.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(1,2,5-triphenyl-2,3-dihydropyrrol-4-yl)methanone is sourced from PubChem (CID 134951356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).