2,2-dimethyl-5-(4-methylphenyl)-3-phenylpyrrole

C19H19N — CID 14342939

IUPAC2,2-dimethyl-5-(4-methylphenyl)-3-phenylpyrrole
SMILESCc1ccc(C2=NC(C)(C)C(c3ccccc3)=C2)cc1
InChIInChI=1S/C19H19N/c1-14-9-11-16(12-10-14)18-13-17(19(2,3)20-18)15-7-5-4-6-8-15/h4-13H,1-3H3
InChIKeyKKZDQUCPWYIZSD-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.66
Rot. Bonds2

About 2,2-dimethyl-5-(4-methylphenyl)-3-phenylpyrrole

2,2-dimethyl-5-(4-methylphenyl)-3-phenylpyrrole (PubChem CID 14342939) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 2,2-dimethyl-5-(4-methylphenyl)-3-phenylpyrrole.

Molecular Properties

Compound Name2,2-dimethyl-5-(4-methylphenyl)-3-phenylpyrrole
PubChem CID14342939
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name2,2-dimethyl-5-(4-methylphenyl)-3-phenylpyrrole
SMILESCc1ccc(C2=NC(C)(C)C(c3ccccc3)=C2)cc1
InChIInChI=1S/C19H19N/c1-14-9-11-16(12-10-14)18-13-17(19(2,3)20-18)15-7-5-4-6-8-15/h4-13H,1-3H3
InChIKeyKKZDQUCPWYIZSD-UHFFFAOYSA-N
XLogP4.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
ethane;1-methyl-4-phenylbenzene;toluene
CID 159803578
ethane;1-methyl-4-phenylbenzene;toluene
CID 157456524
ethane;methane;1-methyl-4-phenylbenzene
CID 143611995
1,1'-biphenyl;toluene
CID 18366440
2-(4-methylphenyl)-5-phenyl-1,3,4-selenadiazole
CID 42605305
aluminum toluene
CID 21283935
benzene;bis(1,4-xylene)
CID 159472747
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
dimethylphosphane;1-methyl-4-phenylbenzene
CID 143300886
1-(cyclodecapentaenyl)-5-methylcyclodeca-1,3,5,7,9-pentaene
CID 123859615

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(4-methylphenyl)-3-phenylpyrrole?
The IUPAC name of 2,2-dimethyl-5-(4-methylphenyl)-3-phenylpyrrole (CID 14342939) is 2,2-dimethyl-5-(4-methylphenyl)-3-phenylpyrrole.
What is the SMILES notation for 2,2-dimethyl-5-(4-methylphenyl)-3-phenylpyrrole?
The canonical SMILES for 2,2-dimethyl-5-(4-methylphenyl)-3-phenylpyrrole is Cc1ccc(C2=NC(C)(C)C(c3ccccc3)=C2)cc1.
What is the InChIKey of 2,2-dimethyl-5-(4-methylphenyl)-3-phenylpyrrole?
The InChIKey is KKZDQUCPWYIZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N/c1-14-9-11-16(12-10-14)18-13-17(19(2,3)20-18)15-7-5-4-6-8-15/h4-13H,1-3H3.
What are the key properties of 2,2-dimethyl-5-(4-methylphenyl)-3-phenylpyrrole?
2,2-dimethyl-5-(4-methylphenyl)-3-phenylpyrrole has a molecular weight of 261.37 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(4-methylphenyl)-3-phenylpyrrole is sourced from PubChem (CID 14342939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).