1-phenyl-2-(2,4,6-trimethylphenyl)pyrrole

C19H19N — CID 102583859

IUPAC1-phenyl-2-(2,4,6-trimethylphenyl)pyrrole
SMILESCc1cc(C)c(-c2cccn2-c2ccccc2)c(C)c1
InChIInChI=1S/C19H19N/c1-14-12-15(2)19(16(3)13-14)18-10-7-11-20(18)17-8-5-4-6-9-17/h4-13H,1-3H3
InChIKeyNWVQRAAFBJJVMU-UHFFFAOYSA-N
MW261.37 g/mol
LogP5.07
Rot. Bonds2

About 1-phenyl-2-(2,4,6-trimethylphenyl)pyrrole

1-phenyl-2-(2,4,6-trimethylphenyl)pyrrole (PubChem CID 102583859) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-phenyl-2-(2,4,6-trimethylphenyl)pyrrole.

Molecular Properties

Compound Name1-phenyl-2-(2,4,6-trimethylphenyl)pyrrole
PubChem CID102583859
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name1-phenyl-2-(2,4,6-trimethylphenyl)pyrrole
SMILESCc1cc(C)c(-c2cccn2-c2ccccc2)c(C)c1
InChIInChI=1S/C19H19N/c1-14-12-15(2)19(16(3)13-14)18-10-7-11-20(18)17-8-5-4-6-9-17/h4-13H,1-3H3
InChIKeyNWVQRAAFBJJVMU-UHFFFAOYSA-N
XLogP5.07
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.37
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-1-(2,4,6-trimethylphenyl)pyrrole
CID 101477910
4,6-dimethyl-1-phenylindole;ethane
CID 156724635
5-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)pyrazole
CID 71416942
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
7,11-dimethyl-3-phenyl-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
CID 22249955
2-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole
CID 122399825
1-phenyl-2,2,3,3-tetrakis(2,4,6-trimethylphenyl)azadisiliridine
CID 15632733
9-phenyl-3-[9-(9-phenylcarbazol-3-yl)-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-6-(2,4,6-trimethylphenyl)carbazole
CID 71232756
2-methylsulfanyl-1-phenylpyrrole
CID 151074819
1,3-bis(2,4,6-trimethylphenyl)-2-benzothiophene
CID 14668871
1,3,5-trimethyl-2-(2-phenylphenyl)benzene
CID 18795387
methyl 3-(1-phenylpyrrol-2-yl)benzoate
CID 132547671

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2,4,6-trimethylphenyl)pyrrole?
The IUPAC name of 1-phenyl-2-(2,4,6-trimethylphenyl)pyrrole (CID 102583859) is 1-phenyl-2-(2,4,6-trimethylphenyl)pyrrole.
What is the SMILES notation for 1-phenyl-2-(2,4,6-trimethylphenyl)pyrrole?
The canonical SMILES for 1-phenyl-2-(2,4,6-trimethylphenyl)pyrrole is Cc1cc(C)c(-c2cccn2-c2ccccc2)c(C)c1.
What is the InChIKey of 1-phenyl-2-(2,4,6-trimethylphenyl)pyrrole?
The InChIKey is NWVQRAAFBJJVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N/c1-14-12-15(2)19(16(3)13-14)18-10-7-11-20(18)17-8-5-4-6-9-17/h4-13H,1-3H3.
What are the key properties of 1-phenyl-2-(2,4,6-trimethylphenyl)pyrrole?
1-phenyl-2-(2,4,6-trimethylphenyl)pyrrole has a molecular weight of 261.37 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(2,4,6-trimethylphenyl)pyrrole is sourced from PubChem (CID 102583859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).