2,3,4,5-tetraphenyl-3H-pyrrole

C28H21N — CID 91744156

IUPAC2,3,4,5-tetraphenyl-3H-pyrrole
SMILESc1ccc(C2=NC(c3ccccc3)=C(c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/C28H21N/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)29-27(25)23-17-9-3-10-18-23/h1-20,25H
InChIKeyYFTWQJCGWNMVJB-UHFFFAOYSA-N
MW371.48 g/mol
LogP6.84
Rot. Bonds4

About 2,3,4,5-tetraphenyl-3H-pyrrole

2,3,4,5-tetraphenyl-3H-pyrrole (PubChem CID 91744156) has the molecular formula C28H21N and a molecular weight of 371.48 g/mol. Its IUPAC name is 2,3,4,5-tetraphenyl-3H-pyrrole.

Molecular Properties

Compound Name2,3,4,5-tetraphenyl-3H-pyrrole
PubChem CID91744156
Molecular FormulaC28H21N
Molecular Weight371.48 g/mol
Exact Mass371.17
IUPAC Name2,3,4,5-tetraphenyl-3H-pyrrole
SMILESc1ccc(C2=NC(c3ccccc3)=C(c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/C28H21N/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)29-27(25)23-17-9-3-10-18-23/h1-20,25H
InChIKeyYFTWQJCGWNMVJB-UHFFFAOYSA-N
XLogP6.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

6,7-Diphenyldibenzo(E,G)(1,4)diazocine
CID 258179
Benzenemethanamine,N'-(1,1'-biphenyl]-2,2'-diyldimethylidyne)bis-
CID 424649
6,12-Diphenyldibenzo[b,f][1,5]diazocine
CID 296709
Benzenemethanamine, N-(diphenylmethylene)-alpha-phenyl-
CID 219139
Benzylamine, N-(diphenylmethylene)-
CID 290996
Benzenamine, N,N'-(1,2-diphenyl-1,2-ethanediylidene)bis-
CID 436963
N-[(4-fluorophenyl)methyl]-1,1-diphenylmethanimine
CID 159448586
2,4,5-triphenyl-2H-imidazole
CID 1201557
N-[1-(2-fluorophenyl)-2-phenylethyl]-1,1-diphenylmethanimine
CID 102172374
N-(2-cyclohexylidene-1-phenylethyl)-1,1-diphenylmethanimine
CID 124222355
(E)-N-(3-(4-fluorophenyl)-1-phenylallyl)-1,1-diphenylmethanimine
CID 124222363
(E)-N-(1-(4-fluorophenyl)-3-phenylallyl)-1,1-diphenylmethanimine
CID 124222364

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetraphenyl-3H-pyrrole?
The IUPAC name of 2,3,4,5-tetraphenyl-3H-pyrrole (CID 91744156) is 2,3,4,5-tetraphenyl-3H-pyrrole.
What is the SMILES notation for 2,3,4,5-tetraphenyl-3H-pyrrole?
The canonical SMILES for 2,3,4,5-tetraphenyl-3H-pyrrole is c1ccc(C2=NC(c3ccccc3)=C(c3ccccc3)C2c2ccccc2)cc1.
What is the InChIKey of 2,3,4,5-tetraphenyl-3H-pyrrole?
The InChIKey is YFTWQJCGWNMVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)29-27(25)23-17-9-3-10-18-23/h1-20,25H.
What are the key properties of 2,3,4,5-tetraphenyl-3H-pyrrole?
2,3,4,5-tetraphenyl-3H-pyrrole has a molecular weight of 371.48 g/mol, XLogP of 6.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetraphenyl-3H-pyrrole is sourced from PubChem (CID 91744156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).